BioLiP

PDB

BioLiP

PDB CCD ID:

RMS

Number of entries in BioLiP:

Chemical formula:

C17 H24 N4 S2

InChI:

InChI=1S/C17H24N4S2/c18-15-14-12-6-4-7-13(12)23-16(14)20-17(19-15)22-11-5-10-21-8-2-1-3-9-21/h1-11H2,(H2,18,19,20)

InChIKey:

LFHQZKLJPPVEJC-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CCN(CC1)CCCSc2nc(c3c4c(sc3n2)CCC4)N
CACTVS 3.385	Nc1nc(SCCCN2CCCCC2)nc3sc4CCCc4c13
ACDLabs 12.01	C4N(CCCSc1nc(N)c2c3c(sc2n1)CCC3)CCCC4

Name:

2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine

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).