BioLiP

PDB

BioLiP

PDB CCD ID:

AVR

Number of entries in BioLiP:

Chemical formula:

C13 H17 N3 O

InChI:

InChI=1S/C13H17N3O/c1-8(2)12-11(13(17)9(3)14)10-6-4-5-7-16(10)15-12/h4-9H,14H2,1-3H3/t9-/m1/s1

InChIKey:

JLKPIOQFGACSJO-SECBINFHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.0	CC(C)c1c(c2ccccn2n1)C(=O)C(C)N
OpenEye OEToolkits 1.7.0	C[C@H](C(=O)c1c2ccccn2nc1C(C)C)N
CACTVS 3.352	CC(C)c1nn2ccccc2c1C(=O)[C@@H](C)N
ACDLabs 11.02	O=C(c1c2ccccn2nc1C(C)C)C(N)C
CACTVS 3.352	CC(C)c1nn2ccccc2c1C(=O)[CH](C)N

Name:

(2R)-2-amino-1-[2-(1-methylethyl)pyrazolo[1,5-a]pyridin-3-yl]propan-1-one;
(R)-2-amino-1-(2-isopropylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one

ZINC:

ZINC000058632529

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).