BioLiP

PDB

BioLiP

PDB CCD ID:

M0Y

Number of entries in BioLiP:

Chemical formula:

C15 H13 N5 O2

InChI:

InChI=1S/C15H13N5O2/c16-14(21)13-11(18-15(17)22)8-20(19-13)12-7-3-5-9-4-1-2-6-10(9)12/h1-8H,(H2,16,21)(H3,17,18,22)

InChIKey:

CJQCPTLUHOGRQY-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc2c(c1)cccc2n3cc(c(n3)C(=O)N)NC(=O)N
ACDLabs 12.01	O=C(N)Nc1cn(nc1C(=O)N)c2cccc3c2cccc3
CACTVS 3.385	NC(=O)Nc1cn(nc1C(N)=O)c2cccc3ccccc23

Name:

4-(carbamoylamino)-1-(naphthalen-1-yl)-1H-pyrazole-3-carboxamide

ZINC:

ZINC000098209146

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).