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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01612757

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
D1RNALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-
N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-
L-PHENYLALANINAMIDE
A2P7U0.71
D1RNALPHA-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-
N-{(1S)-3-PHENYL-1-[2-(PHENYLSULFONYL)ETHYL]PROPYL}-
L-PHENYLALANINAMIDE
A,C2OZ20.71
3CCN-[(2R)-5-(aminosulfonyl)-2,3-dihydro-
1H-inden-2-yl]-2-propylpentanamide
A2QO80.71
IZDISOTHIAZOLIDINONE ANALOGA2CM70.72
K02(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-
2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-
1-BENZOTHIOPHENE-3-CARBOXAMIDE
A,B2UYI0.72
MZ1N~2~-ACETYL-N-[(1S,2R)-1-BENZYL-
2-HYDROXY-3-{(2-THIENYLMETHYL)[(2,4,5-
TRIFLUOROPHENYL)SULFONYL]AMINO}PROPYL]-
L-ALANINAMIDE
A,B2QHY0.71
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.7
008(S)-2-[(R)-3-AMINO-4-(2-FLUORO-
PHENYL)-BUTYRYL]-1,2,3,4-TETRAHYDRO-
ISOQUINOLINE-3-CARBOXYLIC ACID AMIDE
A,B,C,D2BUC0.71
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.7
OAP4-(S)-[(1-OXO-7-PHENYLHEPTYL)AMINO]-
5-[4-(PHENYLMETHYL)PHENYLTHIO]PENTANOIC ACID
A,B,C,D,E,F1KVO0.75
SM4(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-
1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID
A,B2RCX0.8
1603-(3-{2-[(5-METHANESULFONYL-THIOPHENE-
2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}-
BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID
A,B1NMQ0.7
NFTN-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-
(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-
TRIFLUOROETHYL}-L-LEUCINAMIDE
A1VSN0.71
998N-METHYLALANYL-3-METHYLVALYL-N-
(1,2,3,4-TETRAHYDRONAPHTHALEN-1-
YL)PROLINAMIDE
A1TFQ0.73
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A1JK30.81
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A1MMB0.81
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A2RJQ0.81
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A1RM80.81
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A,B2J830.81
BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-
2S-(2-THIENYLTHIOMETHYL)SUCCINYL-
L-PHENYLALANINE-N-METHYLAMIDE
A,B1DTH0.81
CTBN-2-THIOPHEN-2-YL-ACETAMIDE BORONIC ACIDA,B1FSW0.72
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.88
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.88
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.88
BM1(R)-(+)9B-(3-METHYL)PHENYL-2,3-
DIHYDROTHIAZOLO[2,3-A]ISOINDOL-
5(9BH)-ONE
A1C0T0.71
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.71
T29TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)H1A3B0.7
K03N,N-DIETHYL-5,5-DIMETHYL-2-[(2-
THIENYLCARBONYL)AMINO]-4,5,6,7-
TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
A,B2UYM0.71
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.71
G262-(BENZYLCARBAMOYL-PHENYLACETYLAMINO-
METHYL)-5,5-DIMETHYL-THIAZOLIDINE-
4-CARBOXYLIC ACID (HYDROXYMETHYL-
2-PHENYLETHYL)AMIDE
A,B1HTF0.7
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.74
K01N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-
4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-
3-CARBOXAMIDE
A,B2PG20.72
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.73
SMK(3S,6S,7R,9aS)-6-{[(2S)-2-aminobutanoyl]amino}-
7-(2-aminoethyl)-N-(diphenylmethyl)-
5-oxooctahydro-1H-pyrrolo[1,2-a]azepine-
3-carboxamide
A,B3EYL0.7
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.76
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.74
AO1(2S,3R)-3-AMINO-2-HYDROXY-5-(ETHYLSULFANYL)PENTANOYL-
((S)-(-)-(1-NAPHTHYL)ETHYL)AMIDE
A1R5G0.74
G23(2R,4S)-2-[(R)-BENZYLCARBAMOYL-
PHENYLACETYL-METHYL]-5,5-DIMETHYL-
THIAZOLIDINE-4-CARBOXYLIC ACID
A1HTE0.74
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.71
TINA,B1N940.7
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
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.7
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
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE
A2CMA0.71
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.72
3SPN-(CARBOXYMETHYL)-3-CYCLOHEXYL-
D-ALANYL-N-({5-[(E)-AMINO(IMINO)METHYL]THIEN-
2-YL}METHYL)-L-PROLINAMIDE
D,H2FES0.71
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.75