BioLiP

PDB

BioLiP

PDB CCD ID:

KKM

Number of entries in BioLiP:

Chemical formula:

C16 H16 N4 O3

InChI:

InChI=1S/C16H16N4O3/c1-10(9-21)18-16(23)12-8-17-20-14(22)7-13(19-15(12)20)11-5-3-2-4-6-11/h2-8,10,21-22H,9H2,1H3,(H,18,23)/t10-/m0/s1

InChIKey:

HXHYZXUIKFXLHE-JTQLQIEISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	C[C@@H](CO)NC(=O)c1cnn2c1nc(cc2O)c3ccccc3
OpenEye OEToolkits 2.0.6	CC(CO)NC(=O)c1cnn2c1nc(cc2O)c3ccccc3
CACTVS 3.385	C[CH](CO)NC(=O)c1cnn2c(O)cc(nc12)c3ccccc3
ACDLabs 12.01	c1ccccc1c3cc(O)n2c(c(cn2)C(NC(CO)C)=O)n3
CACTVS 3.385	C[C@@H](CO)NC(=O)c1cnn2c(O)cc(nc12)c3ccccc3

Name:

7-hydroxy-N-[(2S)-1-hydroxypropan-2-yl]-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide

ChEMBL:

CHEMBL4084664

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).