BioLiP

PDB

BioLiP

PDB CCD ID:

A1BP1

Number of entries in BioLiP:

Chemical formula:

C15 H16 N4 O2

InChI:

InChI=1S/C15H16N4O2/c1-10(7-11-8-21-9-16-11)17-15(20)14-12-5-3-4-6-13(12)19(2)18-14/h3-6,8-10H,7H2,1-2H3,(H,17,20)

InChIKey:

LQNOWDAJBFJAFM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 3.1.0.0	CC(Cc1cocn1)NC(=O)c2c3ccccc3n(n2)C
OpenEye OEToolkits 3.1.0.0	C[C@@H](Cc1cocn1)NC(=O)c2c3ccccc3n(n2)C
ACDLabs 14.52	Cn1nc(C(=O)NC(C)Cc2cocn2)c2ccccc21
CACTVS 3.385	C[CH](Cc1cocn1)NC(=O)c2nn(C)c3ccccc23
CACTVS 3.385	C[C@@H](Cc1cocn1)NC(=O)c2nn(C)c3ccccc23

Name:

1-methyl-N-[(2R)-1-(1,3-oxazol-4-yl)propan-2-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).