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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03219700

You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GNR2-(3,4-DIHYDRO-3-OXO-2H-BENZO[B][1,4]THIAZIN-
2-YL)-N-HYDROXYACETAMIDE
A,B1S170.73
TYXS-(2-ANILINO-2-OXOETHYL)-L-CYSTEINEA2PQT0.8
TNBS-(2,3,6-TRINITROPHENYL)CYSTEINEA,B,C,D,E,F,
G,H
1AQX0.85
CS1S-(2-ANILINYL-SULFANYL)-CYSTEINEA,B2OMA0.78
GIPS-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONEA,B1QIN0.73
FOE2-(2-AMINO-3-OXO-PROPYLSULFANYL)-
N-(4-FLUORO-PHENYL)-N-ISOPROPYL-
ACETAMIDE
B1BX90.79
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B5GST0.85
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A1HNA0.85
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B1VF30.85
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B,C,D1HNC0.85
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B,C1XWK0.85
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B18GS0.85
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A1GSQ0.85
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B1HNB0.85
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF0.76
347TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-
4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-
1-CARBOXYLATE
A,B,C,D2PJT0.71
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.78
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.78
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.78
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.78
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.78
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.78
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.78