BioLiP

PDB

BioLiP

PDB CCD ID:

JFE

Number of entries in BioLiP:

Chemical formula:

C19 H18 N4 O

InChI:

InChI=1S/C19H18N4O/c1-24-16-4-2-3-13(9-16)12-23-8-7-14-5-6-15(10-18(14)23)17-11-19(20)22-21-17/h2-11H,12H2,1H3,(H3,20,21,22)

InChIKey:

HOUGYQANDNDSLX-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1cccc(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N
CACTVS 3.385	COc1cccc(Cn2ccc3ccc(cc23)c4cc(N)[nH]n4)c1

Name:

3-[1-[(3-methoxyphenyl)methyl]indol-6-yl]-1~{H}-pyrazol-5-amine

ChEMBL:

CHEMBL4571359

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).