BioLiP

PDB

BioLiP

PDB CCD ID:

TZA

Number of entries in BioLiP:

Chemical formula:

C10 H16 N2 O2

InChI:

InChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)/t7-,8-,9-/m0/s1

InChIKey:

LAJWZJCOWPUSOA-CIUDSAMLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1=CC(C=CC1CCC(C(=O)O)N)N
ACDLabs 10.04	O=C(O)C(N)CCC1C=CC(N)C=C1
OpenEye OEToolkits 1.5.0	C1=CC(C=CC1CC[C@@H](C(=O)O)N)N
CACTVS 3.341	N[CH](CC[CH]1C=C[CH](N)C=C1)C(O)=O
CACTVS 3.341	N[C@@H](CC[C@H]1C=C[C@H](N)C=C1)C(O)=O

Name:

TRANS-AMICLENOMYCIN;
2-AMINO-4-(4-AMINO-CYCLOHEXA-2,5-DIENYL)-BUTYRIC ACID

ZINC:

ZINC000100032480

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).