BioLiP

PDB

BioLiP

PDB CCD ID:

G2V

Number of entries in BioLiP:

Chemical formula:

C15 H17 N3

InChI:

InChI=1S/C15H17N3/c1-17-8-6-12-9-11(4-5-14(12)17)13-10-18-7-2-3-15(18)16-13/h4-5,9-10H,2-3,6-8H2,1H3

InChIKey:

GANOSYHSDIPGSR-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	CN1CCc2c1ccc(c2)c3cn4c(n3)CCC4
CACTVS 3.385	CN1CCc2cc(ccc12)c3cn4CCCc4n3
ACDLabs 12.01	C1CN(c2c1cc(cc2)c4cn3c(CCC3)n4)C

Name:

6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline;
5-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methyl-2,3-dihydro-1H-indole

ChEMBL:

CHEMBL4281112

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).