BioLiP

PDB

BioLiP

PDB CCD ID:

WOY

Number of entries in BioLiP:

Chemical formula:

C6 H7 N3

InChI:

InChI=1S/C6H7N3/c1-2-8-6-5(1)3-7-4-9-6/h3-4H,1-2H2,(H,7,8,9)

InChIKey:

PANGDCFLXUDHDI-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n2c1NCCc1cnc2
OpenEye OEToolkits 2.0.7	c1c2c(ncn1)NCC2
CACTVS 3.385	C1Cc2cncnc2N1

Name:

6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine

ZINC:

ZINC000039053702

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).