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BioLiP

PDB CCD ID: CLK
Number of entries in BioLiP: 1
Chemical formula: C11 H14 Cl2 N2 O3
InChI: InChI=1S/C11H14Cl2N2O3/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(14)4-2-6/h1-4,8-10,16-17H,5,14H2,(H,15,18)/t8-,9-/m1/s1
InChIKey: BFLNGKUCFYKCFZ-RKDXNWHRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341Nc1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl
CACTVS 3.341Nc1ccc(cc1)[CH](O)[CH](CO)NC(=O)C(Cl)Cl
ACDLabs 10.04ClC(Cl)C(=O)NC(C(O)c1ccc(N)cc1)CO
OpenEye OEToolkits 1.5.0c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)N
OpenEye OEToolkits 1.5.0c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)N
Name:ALPHA-N-DICHLOROACETYL-P-AMINOPHENYLSERINOL
DrugBank: DB04411
ZINC: ZINC000002525836
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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