BioLiP

PDB

BioLiP

PDB CCD ID:

H3Y

Number of entries in BioLiP:

Chemical formula:

C15 H20 N2 O

InChI:

InChI=1S/C15H20N2O/c18-14-7-12(10-4-2-1-3-5-10)13-6-11-8-16-9-15(11,14)17-13/h1-5,11-14,16-18H,6-9H2/t11-,12-,13-,14+,15+/m1/s1

InChIKey:

WNBPFOXFPIFLPO-ZSAUSMIDSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)C2CC(C34CNCC3CC2N4)O
CACTVS 3.385	O[CH]1C[CH]([CH]2C[CH]3CNC[C]13N2)c4ccccc4
CACTVS 3.385	O[C@H]1C[C@@H]([C@H]2C[C@@H]3CNC[C@@]13N2)c4ccccc4
OpenEye OEToolkits 2.0.6	c1ccc(cc1)[C@H]2C[C@@H]([C@]34CNC[C@H]3C[C@H]2N4)O
ACDLabs 12.01	N1C3CC2C1(CNC2)C(O)CC3c4ccccc4

Name:

(3aR,4S,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol

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).