BioLiP

PDB

BioLiP

PDB CCD ID:

LZC

Number of entries in BioLiP:

Chemical formula:

C16 H23 N7

InChI:

InChI=1S/C16H23N7/c1-10(2)20-15-7-14(21-13-5-3-12(18)4-6-13)22-16-11(8-17)9-19-23(15)16/h7,9-10,12-13,20H,3-6,18H2,1-2H3,(H,21,22)/t12-,13-

InChIKey:

FOESVLPZMGVWBM-JOCQHMNTSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CC(C)Nc1cc(N[C@H]2CC[C@H](N)CC2)nc3n1ncc3C#N
CACTVS 3.341	CC(C)Nc1cc(N[CH]2CC[CH](N)CC2)nc3n1ncc3C#N
ACDLabs 10.04	N#Cc1cnn2c(cc(nc12)NC3CCC(N)CC3)NC(C)C
OpenEye OEToolkits 1.5.0	CC(C)Nc1cc(nc2n1ncc2C#N)NC3CCC(CC3)N

Name:

5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE

ChEMBL:

CHEMBL509730

DrugBank:

DB08140

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).