BioLiP

PDB

BioLiP

PDB CCD ID:

M0Z

Number of entries in BioLiP:

Chemical formula:

C16 H15 N5 O3

InChI:

InChI=1S/C16H15N5O3/c1-24-10-6-5-9-3-2-4-13(11(9)7-10)21-8-12(19-16(18)23)14(20-21)15(17)22/h2-8H,1H3,(H2,17,22)(H3,18,19,23)

InChIKey:

RPIDLPZPJARENN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	COc1ccc2cccc(c2c1)n3cc(c(n3)C(=O)N)NC(=O)N
ACDLabs 12.01	O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cc(OC)cc3
CACTVS 3.385	COc1ccc2cccc(n3cc(NC(N)=O)c(n3)C(N)=O)c2c1

Name:

4-(carbamoylamino)-1-(7-methoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide

ZINC:

ZINC000098209147

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).