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BioLiP Library

PDB CCD ID: 9DW
Number of entries in BioLiP: 0
Chemical formula: C18 H21 N O3
InChI: InChI=1S/C18H21NO3/c1-3-13-11-15(22-2)8-9-16(13)14-6-4-12(5-7-14)10-17(19)18(20)21/h4-9,11,17H,3,10,19H2,1-2H3,(H,20,21)/t17-/m0/s1
InChIKey: WLVXKTIBRNXBIF-KRWDZBQOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6CCc1cc(ccc1c2ccc(cc2)C[C@@H](C(=O)O)N)OC
CACTVS 3.385CCc1cc(OC)ccc1c2ccc(C[CH](N)C(O)=O)cc2
CACTVS 3.385CCc1cc(OC)ccc1c2ccc(C[C@H](N)C(O)=O)cc2
OpenEye OEToolkits 2.0.6CCc1cc(ccc1c2ccc(cc2)CC(C(=O)O)N)OC
Name:(2~{S})-2-azanyl-3-[4-(2-ethyl-4-methoxy-phenyl)phenyl]propanoic acid
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)(download the PDF file).
  • 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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