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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02419074

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GGC1-MENAPHTHYL GLUTATHIONE CONJUGATEA,B3LJR0.84
GBIS-(3-IODOBENZYL)GLUTATHIONEA2GSQ0.9
CRJN-(1-CYANOCYCLOPROPYL)-3-({[(2S)-
5-OXOPYRROLIDIN-2-YL]METHYL}SULFONYL)-
N~2~-[(1S)-2,2,2-TRIFLUORO-1-(4-
FLUOROPHENYL)ETHYL]-L-ALANINAMIDE
A,B2FQ90.74
CEH5-{3-(S)-(4-(R)-ACETYLAMINO-4-CARBOXY-
BUTYRYLAMINO)-3-[1-(R)-(1-(R)-CARBOXY-
ETHYLCARBAMOYL)-ETHYLCARBAMOYL]-
PROPYL}-2-(CARBOXY-PHENYLACETYLAMINO-
METHYL)-3,6-DIHYDRO-2H-[1,3]THIAZINE-
4-CARBOXYLIC ACID
A1HVB0.79
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE
A,B1MTC0.76
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE
A,B5FWG0.76
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE
A,B2PGT0.76
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE
A,B3FYG0.76
GPR(9R,10R)-9-(S-GLUTATHIONYL)-10-
HYDROXY-9,10-DIHYDROPHENANTHRENE
A,B3GST0.76
FRFPHE-REDUCED-PHEA,I1GVX0.7
GIPS-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONEA,B1QIN0.71
7392(S)-{2(S)-[2(R)-AMINO-3-MERCAPTO]PROPYLAMINO-
3(S)-METHYL}PENTYLOXY-3-PHENYLPROPIONYLMETHIONINE SULFONE
A,B1JCQ0.71
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.7
C4PN-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-
N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE
A1NQC0.72
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.7
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.71
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.75
GAN2-[3-BENZYL-5-(1-ALANYL-AMINOETHYL)-
2,3,6,7-TETRAHYDRO-1H-AZEPIN-1-
YL]-1-OXOPROPYL-VALINYL-VALINE-
METHYLESTER
A1HBV0.72
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.74
AIC(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A2RDD0.74
AIC(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A,B,C,D1NX90.74
AIC(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A1H8S0.74
AIC(2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A2EX60.74
EAL1-((2S)-2-{[(1S)-1-CARBOXY-3-PHENYLPROPYL]AMINO}PROPANOYL)-
L-PROLINE
A1UZE0.75
BO9N1-[(1R)-1-(DIHYDROXYBORYL)ETHYL]-
N2-[(TERT-BUTOXYCARBONYL)-D-GAMMA-
GLUTAMYL]-N6-[(BENZYLOXY)CARBONYL-
L-LYSINAMIDE
A1Z6F0.72
FBDN-({(1R)-1-carboxy-2-[(4-fluorobenzyl)sulfanyl]ethyl}carbamoyl)-
L-glutamic acid
A3D7D0.8
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL20.72
ABYN-(4-AMINOBUTANOYL)-S-(4-METHOXYBENZYL)-
L-CYSTEINYLGLYCINE
A,B1PL10.72