The bioactive molecules with primary target of sterol 14α-demethylase inhibition predicted by the minimum structure in 1,2,4-triazol-1-yl group

Reference: Forouzesh A, Samadi Foroushani S, Forouzesh F and Zand E (2019) Reliable target prediction of bioactive molecules based on chemical similarity without employing statistical methods. Front. Pharmacol. 10:835. doi: 10.3389/fphar.2019.00835

Albaconazole: CAS Reg. No.187949-02-6, InChIKey UHIXWHUVLCAJQL-MPBGBICISA-N; Alteconazole: CAS Reg. No.93479-96-0, InChIKey AXDYHXZBKXITAA-TYDMEHBZSA-N; Azaconazole: CAS Reg. No.60207-31-0, InChIKey AKNQMEBLVAMSNZ-UHFFFAOYSA-N; BAS 110: CAS Reg. No.83223-83-0, InChIKey UOSZFOHRMATYAF-ROIIEEENSA-N; BAS 111: CAS Reg. No.80553-79-3, InChIKey KAEVVAWQVXIYPH-MVMUQWOCSA-N; BAS 45406F: CAS Reg. No.77562-07-3, InChIKey PFSFZMGHUUOHON-XLNRJJMWSA-N; Bitertanol: CAS Reg. No.55179-31-2, InChIKey SPVIDRSYTTWGHG-UWFRYYLNSA-N; Bromuconazole: CAS Reg. No.116255-48-2, InChIKey RQBZXFVUTSGWJQ-RLWGQDEYSA-N; Cyproconazole: CAS Reg. No.94361-06-5, InChIKey LEZZHEWSNKPMOI-MACVOLPTSA-N; D 0870: CAS Reg. No.149715-95-7, InChIKey FZEJTXCSLUORDW-BGLDCGIESA-N; Diclobutrazol: CAS Reg. No.75736-33-3, InChIKey PLPRPHZNQBHGSP-DZYJZKBLSA-N; Difenoconazole: CAS Reg. No.119446-68-3, InChIKey FQNUBDIMKXZYAC-HMLBIANXSA-N; Diniconazole: CAS Reg. No.83657-24-3, InChIKey HFLXXQLOUZRCHU-FATSGVOGSA-N; Efinaconazole: CAS Reg. No.164650-44-6, InChIKey NFEZZTICAUWDHU-RDTXWAMCSA-N; Embeconazole: CAS Reg. No.329744-44-7, InChIKey XSRKBFUVSRRJDX-GGZJQHSXSA-N; Epoxiconazole: CAS Reg. No.133855-98-8, InChIKey FEVYAAHIKWPJNV-TYDMEHBZSA-N; Etaconazole: CAS Reg. No.60207-93-4, InChIKey JFMUAODQVWMYRW-KKRXSGBFSA-N; Fenbuconazole: CAS Reg. No.114369-43-6, InChIKey QSYNIAKLTBPGTE-OYPHMNEHSA-N; Fluconazole: CAS Reg. No.86386-73-4, InChIKey RFHAOTPXVQNOHP-UHFFFAOYSA-N; Fluotrimazole: CAS Reg. No.31251-03-3, InChIKey LXMQMMSGERCRSU-UHFFFAOYSA-N; Fluquinconazole: CAS Reg. No.136426-54-5, InChIKey IJJVMEJXYNJXOJ-UHFFFAOYSA-N; Flusilazole: CAS Reg. No.85509-19-9, InChIKey FQKUGOMFVDPBIZ-UHFFFAOYSA-N; Flutriafol: CAS Reg. No.76674-21-0, InChIKey CSXFHZGGPUTMPM-RRHAQCGESA-N; Fosfluconazole: CAS Reg. No.194798-83-9, InChIKey GHJWNRRCRIGGIO-UHFFFAOYSA-N; Furconazole: CAS Reg. No.112839-33-5, InChIKey RQHFGSMAIYYONL-BQMCQWBFSA-N; Genaconazole (SCH 39304): CAS Reg. No.120924-80-3, InChIKey HBWHJEKUXXZRSF-IPJDUMPVSA-N; Hexaconazole: CAS Reg. No.79983-71-4, InChIKey XYUVNMJFMCHWHP-IKFJUQJOSA-N; ICI 153066: CAS Reg. No.76674-22-1, InChIKey UGARSCJPQHNMKB-RRHAQCGESA-N; ICI 195739: CAS Reg. No.103961-78-0, InChIKey KSWVFWCEIOKHHC-HCLNXLRASA-N; Imibenconazole: CAS Reg. No.86598-92-7, InChIKey AGKSTYPVMZODRV-UHFFFAOYSA-N; Ipconazole: CAS Reg. No.125225-28-7, InChIKey TUZZSXYFOCWDAS-BIEISDBSSA-N; Ipfentrifluconazole: CAS Reg. No.1417782-08-1, InChIKey QCLZMYAIZNMPAH-OYPHMNEHSA-N; Isavuconazole: CAS Reg. No.241479-67-4, InChIKey DDFOUSQFMYRUQK-RCDICMHDSA-N; Itraconazole: CAS Reg. No.84625-61-6, InChIKey LSTCZAXKMOLFGK-PPUJANMKSA-N; LAB 158241F: CAS Reg. No.95059-87-3, InChIKey CRVPQJOCTGXDRB-UHFFFAOYSA-N; LAB 170250F: CAS Reg. No.88630-25-5, InChIKey FQMDEELSZJOSAQ-TYDMEHBZSA-N; Mefentrifluconazole: CAS Reg. No.1417782-03-6, InChIKey JVJPWUXCSKFHQH-QAOGLABXSA-N; Metconazole: CAS Reg. No.125116-23-6, InChIKey MYDROAMIYTWIDB-SNBRXXPMSA-N; Myclobutanil: CAS Reg. No.88671-89-0, InChIKey ZRLAPEUZHQWKBJ-ZWZQDMJTSA-N; Penconazole: CAS Reg. No.66246-88-6, InChIKey ZVCSHSPUPZBCBS-FTYBWHBYSA-N; Posaconazole: CAS Reg. No.171228-49-2, InChIKey RAGOYPUPXAKGKH-XAKZXMRKSA-N; PP 969: CAS Reg. No.69141-50-0, InChIKey XMTNXPUOWZZIPL-RNDCMBHTSA-N; Pramiconazole: CAS Reg. No.219923-85-0, InChIKey AEKNYBWUEYNWMJ-QWOOXDRHSA-N; Propiconazole: CAS Reg. No.60207-90-1, InChIKey DNROXMGWOGXFNI-XWYXKSRUSA-N; Quinconazole: CAS Reg. No.103970-75-8, InChIKey OVFHHJZHXHZIHT-UHFFFAOYSA-N; Ravuconazole: CAS Reg. No.182760-06-1, InChIKey OPAHEYNNJWPQPX-RCDICMHDSA-N; Saperconazole: CAS Reg. No.110588-57-3, InChIKey ZEODQGNTFDNXMH-PPUJANMKSA-N; SCH 42427: CAS Reg. No.121650-83-7, InChIKey HFGZFHCWKKQGIS-NOZJJQNGSA-N; SCH 51048: CAS Reg. No.161532-65-6, InChIKey OPFHZSVWSCMEPV-AYAMJOBCSA-N; SDZ 89-485: CAS Reg. No.103183-65-9, InChIKey LHDGDQZODHEIPT-INIZCTEOSA-N; Simeconazole: CAS Reg. No.149508-90-7, InChIKey FECFVNIPATZKGO-IKFJUQJOSA-N; SSF 109 (huanjunzuo): CAS Reg. No.129586-32-9, InChIKey WSBKLNJAJZVBAF-PNSAJKJISA-N; SSY 726: CAS Reg. No.136067-88-4, InChIKey NZEBWFSFYQECNY-AWEZNQCLSA-N; SYN 2506: InChIKey IUFJTCWVBOVKJY-ONOMSOESSA-N; SYN 2836: CAS Reg. No.210562-94-0, InChIKey RKIFSGOQLRESME-JPZYQRIQSA-N; SYN 2869: CAS Reg. No.210562-98-4, InChIKey HEAOYZUDBIUSJN-JPZYQRIQSA-N; SYN 2903: CAS Reg. No.210563-03-4, InChIKey PCYZZKYRNGSDMF-ROTAYESASA-N; SYN 2921: CAS Reg. No.227103-93-7, InChIKey WYVLGGLILXPIQP-ROTAYESASA-N; T 8581: InChIKey KDHNDVXHMRYACP-NSHDSACASA-N; TAK 187: CAS Reg. No.155432-64-7, InChIKey CBHTUKXHISWMTH-JLCFBVMHSA-N; TAK 456: CAS Reg. No.181869-54-5, InChIKey JTNIHNJCRCYZSU-IVZQSRNASA-N; Tebuconazole: CAS Reg. No.107534-96-3, InChIKey WTDBZJUHDCAMBD-RRHAQCGESA-N; Terconazole (triaconazole): CAS Reg. No.67915-31-5, InChIKey AJIBSZMJDYUTCJ-ICCBHQQHSA-N; Tetraconazole: CAS Reg. No.112281-77-3, InChIKey ZXGSSOGNBOQRJO-RMTNWKGQSA-N; Triadimefon: CAS Reg. No.43121-43-3, InChIKey JXTANTZZZMKBPO-JACLSRQLSA-N; Triadimenol: CAS Reg. No.55219-65-3, InChIKey PZDHSXRELTYDNI-FSCVMSEGSA-N; Triticonazole: CAS Reg. No.131983-72-7, InChIKey CBFIZWGJMDQBAI-CYNNTGGJSA-N; UK 47265: CAS Reg. No.81886-52-4, InChIKey CMGCKUPKNSSPER-UHFFFAOYSA-N; UK 51486: InChIKey LZPGGXYCXQYBEI-IZIBOJBPSA-N; Uniconazole: CAS Reg. No.83657-22-1, InChIKey UKWGFELUGYSORA-JCPQPXMASA-N; UR 9746: InChIKey QJHNXGWLYVMQTP-YIILKADPSA-N; UR 9751: InChIKey QSVFWYIWGYYGQN-SPLOXXLWSA-N; Vibunazole (BAY N-7133): CAS Reg. No.80456-55-9, InChIKey BGYFURWVZLQDTR-ZWZQDMJTSA-N; Voriconazole: CAS Reg. No.137234-62-9, InChIKey BCEHBSKCWLPMDN-MGPLVRAMSA-N; YH 1715R: InChIKey BVWQNHXMENIJIP-RFAUZJTJSA-N