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BioLiP

PDB CCD ID: MY4
Number of entries in BioLiP: 0
Chemical formula: C14 H19 N3 O5
InChI: InChI=1S/C14H19N3O5/c15-17(9-13(20)21)12(19)8-11(18)14(22)16-7-6-10-4-2-1-3-5-10/h1-5,11,18H,6-9,15H2,(H,16,22)(H,20,21)/t11-/m0/s1
InChIKey: FAEIAIPIEHOWKC-NSHDSACASA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCNC(=O)C(CC(=O)N(CC(=O)O)N)O
CACTVS 3.341NN(CC(O)=O)C(=O)C[C@H](O)C(=O)NCCc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)CCNC(=O)[C@H](CC(=O)N(CC(=O)O)N)O
CACTVS 3.341NN(CC(O)=O)C(=O)C[CH](O)C(=O)NCCc1ccccc1
ACDLabs 10.04O=C(O)CN(N)C(=O)CC(O)C(=O)NCCc1ccccc1
Name:(1-{(3S)-3-HYDROXY-4-OXO-4-[(2-PHENYLETHYL)AMINO]BUTANOYL}HYDRAZINO)ACETIC ACID
ZINC: ZINC000058649540
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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