BioLiP

PDB

BioLiP

PDB CCD ID:

LTY

Number of entries in BioLiP:

Chemical formula:

C22 H23 N7 O

InChI:

InChI=1S/C22H23N7O/c23-13-15-4-9-28(10-5-15)20-12-18-16(3-1-6-24-18)11-19(20)27-22(30)17-14-26-29-8-2-7-25-21(17)29/h1-3,6-8,11-12,14-15H,4-5,9-10,13,23H2,(H,27,30)

InChIKey:

BFBOXYLGKAPSFY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	NCC1CCN(CC1)c2cc3ncccc3cc2NC(=O)c4cnn5cccnc45
ACDLabs 12.01	c4c(NC(c1c2n(nc1)cccn2)=O)c(N3CCC(CC3)CN)cc5c4cccn5
OpenEye OEToolkits 2.0.7	c1cc2cc(c(cc2nc1)N3CCC(CC3)CN)NC(=O)c4cnn5c4nccc5

Name:

N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide

ChEMBL:

CHEMBL3950656

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).