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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01415250

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SM4(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-
1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID
A,B2RCX0.71
8952-(5-CHLORO-2-THIENYL)-N-{(3S)-
1-[(1S)-1-METHYL-2-MORPHOLIN-4-
YL-2-OXOETHYL]-2-OXOPYRROLIDIN-
3-YL}ETHENESULFONAMIDE
D,H2JH50.73
8952-(5-CHLORO-2-THIENYL)-N-{(3S)-
1-[(1S)-1-METHYL-2-MORPHOLIN-4-
YL-2-OXOETHYL]-2-OXOPYRROLIDIN-
3-YL}ETHENESULFONAMIDE
A2UWL0.73
1761-(2-AMINO-3,3-DIPHENYL-PROPIONYL)-
PYRROLIDINE-3-CARBOXYLIC ACID 2,5-
DICHLORO-BENZYLAMIDE
A,B1TA20.72
C4PN-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-
N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE
A1NQC0.74
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.74
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.71
GSX5'-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-
2-MORPHOLIN-4-YL-2-OXOETHYL]-2-
OXOPYRROLIDIN-3-YL}-2,2'-BITHIOPHENE-
5-SULFONAMIDE
A2J950.72
ME15-CHLORO-N-(2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-
2-CARBOXAMIDE
A2P930.75
VS13-[[N-[MORPHOLIN-N-YL]-CARBONYL]-
PHENYLALANINYL-AMINO]-5- PHENYL-
PENTANE-1-SULFONYLBENZENE
A2P860.73
VS13-[[N-[MORPHOLIN-N-YL]-CARBONYL]-
PHENYLALANINYL-AMINO]-5- PHENYL-
PENTANE-1-SULFONYLBENZENE
A,B,C1F290.73
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.76
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.76
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.76
4CP2-[2-(4-CHLORO-PHENYLSULFANYL)-
ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-
PROPIONAMIDE
H,I2BVR0.7
2CEN-[2-(2-CARBAMOYLMETHOXY-ETHOXY)-
ETHYL]-2-[2-(4-CHLORO-PHENYLSULFANYL)-
ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-
PROPIONAMIDE
H,I2BVS0.73
GS55-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-
2-MORPHOLIN-4-YL-2-OXOETHYL]-2-
OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-
2-SULFONAMIDE
A2J380.75
RIV5-chloro-N-({(5S)-2-oxo-3-[4-(3-
oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-
5-yl}methyl)thiophene-2-carboxamide
A2W260.71
1LG2,4-DICHLORO-N-(3-CYANO-4,5,6,7-
TETRAHYDRO-BENZOTHIOPHEN-2YL)-5-
(MORPHOLINE-4-SULFONYL)-BENZAMIDE
A2AM10.71
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.71
P214-chloro-N-(3-methoxypropyl)-N-
[(3S)-1-(2-phenylethyl)piperidin-
3-yl]benzamide
A2VD40.73
ME55-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-
2-CARBOXAMIDE
A2P950.75
C1PN~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-
[(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP-
2-ENYL]-D-LEUCINAMIDE
A,B,C,D3BWK0.72
C1PN~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-
[(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP-
2-ENYL]-D-LEUCINAMIDE
A,B1NPZ0.72
PG1PENICILLIN G ACYL-SERINEA,B1XA70.71
PG1PENICILLIN G ACYL-SERINEA2IWC0.71
PG1PENICILLIN G ACYL-SERINEA,B1MWT0.71
GS66-CHLORO-N-{(3S)-1-[(1S)-1-METHYL-
2-MORPHOLIN-4-YL-2-OXOETHYL]-2-
OXOPYRROLIDIN-3-YL}-1-BENZOTHIOPHENE-
2-SULFONAMIDE
A2J340.76
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.7
SUB3-PHENYL-2-{[4-(TOLUENE-4-SULFONYL)-
THIOMORPHOLINE-3-CARBONYL]-AMINO}-
PROPIONIC ACID ETHYL ESTER
A1J4H0.71
701(2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-
1-[(1S)-1-METHYL-2-MORPHOLIN-4-
YL-2-OXOETHYL]-2-OXOPYRROLIDIN-
3-YL}PROPENE-1-SULFONAMIDE
D,H2JH00.75
701(2R)-2-(5-CHLORO-2-THIENYL)-N-{(3S)-
1-[(1S)-1-METHYL-2-MORPHOLIN-4-
YL-2-OXOETHYL]-2-OXOPYRROLIDIN-
3-YL}PROPENE-1-SULFONAMIDE
A2UWO0.75
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A1JK30.72
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A1MMB0.72
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A2RJQ0.72
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A1RM80.72
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A,B2J830.72
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A,B1DTH0.72
EG3PHENYLALANYLAMINODI(ETHYLOXY)ETHYL BENZENESULFONAMIDEAMINOCARBONYLBENZENESULFONAMIDEA1CNY0.7
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.72
XLC3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]-
4-[(4-METHYL-1-PIPERAZINYL)METHYL]-
2-THIOPHENECARBOXAMIDE
A,L1MQ50.72
MYP4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-
(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-
2-PHENYLETHYL]-AMIDE
A,B1M6D0.72
C2D6-CHLORO-1-(2-{[(5-CHLORO-1-BENZOTHIEN-
3-YL)METHYL]AMINO}ETHYL)-3-[(2-
PYRIDIN-2-YLETHYL)AMINO]-1,4-DIHYDROPYRAZIN-
2-OL
H,I2BXT0.71
8942-(5-CHLORO-2-THIENYL)-N-{(3S)-
1-[(1S)-1-METHYL-2-MORPHOLIN-4-
YL-2-OXOETHYL]-2-OXOPYRROLIDIN-
3-YL}ETHANESULFONAMIDE
A2UWP0.73
8942-(5-CHLORO-2-THIENYL)-N-{(3S)-
1-[(1S)-1-METHYL-2-MORPHOLIN-4-
YL-2-OXOETHYL]-2-OXOPYRROLIDIN-
3-YL}ETHANESULFONAMIDE
D,H2JH60.73