BioLiP

Zhang Lab

University of Michigan

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BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C12 H17 N

InChI:

InChI=1S/C12H17N/c13-10-12(8-4-5-9-12)11-6-2-1-3-7-11/h1-3,6-7H,4-5,8-10,13H2

InChIKey:

SJWOFBVBNFLWLP-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc(cc1)C2(CCCC2)CN
CACTVS 3.341	NCC1(CCCC1)c2ccccc2
ACDLabs 10.04	c1c(cccc1)C2(CN)CCCC2

Name:

1-METHYLAMINE-1-BENZYL-CYCLOPENTANE;
1-(1-PHENYLCYCLOPENTYL)METHANAMINE

ChEMBL:

DrugBank:

ZINC:

ZINC000000984833

Reference:

Chengxin Zhang, Xi Zhang, Peter L 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).

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