BioLiP

PDB

BioLiP

PDB CCD ID:

GGJ

Number of entries in BioLiP:

Chemical formula:

C22 H20 N4 O

InChI:

InChI=1S/C22H20N4O/c1-27-19-10-8-14(9-11-19)21-20(22(24)26-25-21)17-6-2-4-15(12-17)16-5-3-7-18(23)13-16/h2-13H,23H2,1H3,(H3,24,25,26)

InChIKey:

NUTSYDYCFJFYDE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	COc1ccc(cc1)c2c(c([nH]n2)N)c3cccc(c3)c4cccc(c4)N
CACTVS 3.385	COc1ccc(cc1)c2n[nH]c(N)c2c3cccc(c3)c4cccc(N)c4
ACDLabs 12.01	O(C)c1ccc(cc1)c4c(c3cc(c2cccc(c2)N)ccc3)c(nn4)N

Name:

4-(3'-amino[1,1'-biphenyl]-3-yl)-3-(4-methoxyphenyl)-1H-pyrazol-5-amine

ChEMBL:

CHEMBL3804971

ZINC:

ZINC000584905557

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

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).