BioLiP

PDB

BioLiP

PDB CCD ID:

1K7

Number of entries in BioLiP:

Chemical formula:

C13 H20 N2

InChI:

InChI=1S/C13H20N2/c14-12(8-11-9-13(11)15)7-6-10-4-2-1-3-5-10/h1-5,11-13H,6-9,14-15H2/t11-,12-,13+/m1/s1

InChIKey:

DRGBFDMHSWJTDJ-UPJWGTAASA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[C@H](CCc1ccccc1)C[C@@H]2C[C@@H]2N
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CC[C@H](C[C@@H]2C[C@@H]2N)N
CACTVS 3.370	N[CH](CCc1ccccc1)C[CH]2C[CH]2N
OpenEye OEToolkits 1.7.6	c1ccc(cc1)CCC(CC2CC2N)N

Name:

(1S,2S)-2-[(2R)-2-azanyl-4-phenyl-butyl]cyclopropan-1-amine

ZINC:

ZINC000098207982

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).