BioLiP

PDB

BioLiP

PDB CCD ID:

DCI

Number of entries in BioLiP:

Chemical formula:

C5 H13 N

InChI:

InChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3/t5-/m0/s1

InChIKey:

VJROPLWGFCORRM-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCC(C)CN
CACTVS 3.341 OpenEye OEToolkits 1.5.0	CC[C@H](C)CN
CACTVS 3.341	CC[CH](C)CN
ACDLabs 10.04	NCC(C)CC

Name:

2-METHYL-BUTYLAMINE;
LEUCINOL

ZINC:

ZINC000002041177

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).