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BioLiP Library

PDB CCD ID: 69M
Number of entries in BioLiP: 1
Chemical formula: C21 H18 N4 O
InChI: InChI=1S/C21H18N4O/c22-17-6-2-4-15(12-17)14-3-1-5-16(11-14)19-20(24-25-21(19)23)13-7-9-18(26)10-8-13/h1-12,26H,22H2,(H3,23,24,25)
InChIKey: BUIBXSQEEVVBFQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c1c(ccc(c1)c4c(c2cc(ccc2)c3cccc(c3)N)c(nn4)N)O
OpenEye OEToolkits 2.0.4c1cc(cc(c1)c2c(n[nH]c2N)c3ccc(cc3)O)c4cccc(c4)N
CACTVS 3.385Nc1cccc(c1)c2cccc(c2)c3c(N)[nH]nc3c4ccc(O)cc4
Name:4-[5-amino-4-(3'-amino[1,1'-biphenyl]-3-yl)-1H-pyrazol-3-yl]phenol
ChEMBL: CHEMBL3806115
ZINC: ZINC000584904678
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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