BioLiP

PDB

BioLiP

PDB CCD ID:

69T

Number of entries in BioLiP:

Chemical formula:

C15 H13 N3 O2

InChI:

InChI=1S/C15H13N3O2/c19-12-5-1-10(2-6-12)14-9-15(18-17-14)16-11-3-7-13(20)8-4-11/h1-9,19-20H,(H2,16,17,18)

InChIKey:

AWPPGEGXTUMWMX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	c1cc(ccc1c2cc([nH]n2)Nc3ccc(cc3)O)O
CACTVS 3.385	Oc1ccc(Nc2[nH]nc(c2)c3ccc(O)cc3)cc1
ACDLabs 12.01	c1(ccc(cc1)O)Nc2cc(nn2)c3ccc(cc3)O

Name:

4-{5-[(4-hydroxyphenyl)amino]-1H-pyrazol-3-yl}phenol

ChEMBL:

CHEMBL3805931

ZINC:

ZINC000584904668

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).