BioLiP

PDB

BioLiP

PDB CCD ID:

A1BSQ

Number of entries in BioLiP:

Chemical formula:

C13 H15 N3 O2

InChI:

InChI=1S/C13H15N3O2/c1-16-11-5-3-2-4-10(11)12(15-16)13(17)14-9-6-7-18-8-9/h2-5,9H,6-8H2,1H3,(H,14,17)/t9-/m1/s1

InChIKey:

OUXJTKZWAHXWFL-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	Cn1c2ccccc2c(n1)C(=O)N[C@H]3CCOC3
CACTVS 3.385	Cn1nc(C(=O)N[CH]2CCOC2)c3ccccc13
CACTVS 3.385	Cn1nc(C(=O)N[C@H]2CCOC2)c3ccccc13
OpenEye OEToolkits 3.1.0.0	Cn1c2ccccc2c(n1)C(=O)NC3CCOC3
ACDLabs 14.52	O=C(NC1CCOC1)c1nn(C)c2ccccc12

Name:

1-methyl-N-[(3R)-oxolan-3-yl]-1H-indazole-3-carboxamide

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).