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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00289141

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
THN2-[CARBOXY-(2-THIOPHEN-2-YL-ACETYLAMINO)-
METHYL]-5-METHYLENE-5,6-DIHYDRO-
2H-[1,3]THIAZINE-4-CARBOXYLIC ACID
A,B1KVL0.7
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine
A2ZGA0.71
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine
A,B3CKT0.71
CTBN-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACIDA,B1FSW0.74
1603-(3-{2-[(5-METHANESULFONYL-THIOPHENE-
2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}-
BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID
A,B1NMQ0.73
OAP4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-
5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID
A,B,C,D,E,F1KVO0.72
VS13-[[N-[MORPHOLIN-N-YL]-CARBONYL]-
PHENYLALANINYL-AMINO]-5- PHENYL-
PENTANE-1-SULFONYLBENZENE
A2P860.7
VS13-[[N-[MORPHOLIN-N-YL]-CARBONYL]-
PHENYLALANINYL-AMINO]-5- PHENYL-
PENTANE-1-SULFONYLBENZENE
A,B,C1F290.7
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.9
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.9
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.9
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.71
K03N,N-DIETHYL-5,5-DIMETHYL-2-[(2-
THIENYLCARBONYL)AMINO]-4,5,6,7-
TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
A,B2UYM0.73
PN1(2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A1W2N0.7
PN1(2S,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-
3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-
2-CARBOXYLIC ACID
A1UNB0.7
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.73
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A1JK30.79
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A1MMB0.79
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A2RJQ0.79
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A1RM80.79
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A,B2J830.79
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A,B1DTH0.79
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.83
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.75
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.73
ME15-CHLORO-N-(2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-
2-CARBOXAMIDE
A2P930.73
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.71
SM4(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-
1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID
A,B2RCX0.82
K02(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-
2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-
1-BENZOTHIOPHENE-3-CARBOXAMIDE
A,B2UYI0.73
G262-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-
METHYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID (HYDROXYMETHYL-
2-PHENYLETHYL)AMIDE
A,B1HTF0.7
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.73
C1PN~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-
[(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP-
2-ENYL]-D-LEUCINAMIDE
A,B,C,D3BWK0.7
C1PN~2~-(MORPHOLIN-4-YLCARBONYL)-N~1~-
[(1S,2E)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)PROP-
2-ENYL]-D-LEUCINAMIDE
A,B1NPZ0.7
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.75
MZ1N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-
2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-
TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-
L-ALANINAMIDE
A,B2QHY0.72
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.7
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
A2RDD0.7
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,D1NX90.7
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
A1H8S0.7
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
A2EX60.7
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.73
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.73
4MC(Z)-N-(5-GUANIDINO-1-OXO-1-(5-PHENYL-
1-(PHENYLSULFONYL)PENT-1-EN-3-YLAMINO)PENTAN-
2-YL)-4-METHYLPIPERAZINE-1-CARBOXAMIDE
A,C2EFM0.71
N4T(1S)-1-CYCLOPROPYL-2-[(2S)-4-(2,5-
DIFLUOROPHENYL)-2-PHENYL-2,5-DIHYDRO-
1H-PYRROL-1-YL]-2-OXOETHANAMINE
A,B2FL20.7
C4PN-[(1R)-2-(BENZYLSULFANYL)-1-FORMYLETHYL]-
N-(MORPHOLIN-4-YLCARBONYL)-L-PHENYLALANINAMIDE
A1NQC0.71
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.72
AO1(2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL-
((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE
A1R5G0.7
K01N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-
4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-
3-CARBOXAMIDE
A,B2PG20.74
D1RNALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-
N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-
L-PHENYLALANINAMIDE
A2P7U0.73
D1RNALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-
N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-
L-PHENYLALANINAMIDE
A,C2OZ20.73
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1PI50.72
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A1NXY0.72
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1MXO0.72
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1YM10.72
F1K(2S)-4-(4-fluorobenzyl)-N-(3-sulfanylpropyl)piperazine-
2-carboxamide
A,B,C2ZJK0.76
MYP4-MORPHOLIN-4-YL-PIPERIDINE-1-CARBOXYLIC ACID [1-
(3-BENZENESULFONYL-1-PROPYL-ALLYLCARBAMOYL)-
2-PHENYLETHYL]-AMIDE
A,B1M6D0.7
MZ2(2E)-N-[(1S,2R)-1-BENZYL-2-HYDROXY-
3-{(2-THIENYLMETHYL)[(2,4,5-TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-
4,4,4-TRIFLUORO-3-METHYLBUT-2-ENAMIDE
A,B2QHZ0.71
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.71
ME55-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-
2-CARBOXAMIDE
A2P950.72
F1J(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-
2-carboxamide
A2ZJJ0.76
3SPN-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-
2-YL}METHYL)-L-PROLINAMIDE
D,H2FES0.71
T29TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)H1A3B0.71