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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00788104

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RIV5-chloro-N-({(5S)-2-oxo-3-[4-(3-
oxomorpholin-4-yl)phenyl]-1,3-oxazolidin-
5-yl}methyl)thiophene-2-carboxamide
A2W260.7
NN33-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
A,B2GIR0.76
SM4(1R)-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-
1-(3-(2-CARBOXYVINYL)-PHENYL) METHYLBORONIC ACID
A,B2RCX0.76
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.7
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.71
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.71
GSV2-(5-chlorothiophen-2-yl)-N-{(3S)-
1-[3-fluoro-2'-(methylsulfonyl)biphenyl-
4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide
A2VH60.72
304N-[2-methyl-5-(methylcarbamoyl)phenyl]-
2-{[(1R)-1-methylpropyl]amino}-
1,3-thiazole-5-carboxamide
A3BX50.72
D16TOMUDEXA,B1I000.75
D16TOMUDEXA,B2KCE0.75
D16TOMUDEXA,B,C,D2TSR0.75
D16TOMUDEXA,B,C,D1HVY0.75
D16TOMUDEXA,B1RTS0.75
LZF5-chloro-N-[(3S,4S)-1-(2-{[2-fluoro-
4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-
2-oxoethyl)-4-methoxypyrrolidin-
3-yl]thiophene-2-carboxamide
A,B2VVC0.7
JPC3-[(2,4-DICHLOROBENZOYL)(ISOPROPYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
A1YVZ0.71
GIN2-{[(6-OXO-1,6-DIHYDROPYRIDIN-3-
YL)METHYL]AMINO}-N-[4-PROPYL-3-
(TRIFLUOROMETHYL)PHENYL]BENZAMIDE
A,B2HZ00.76
INRA,C1E9H0.71
INRA1UZU0.71
INRA,B1V0O0.71
LS53-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-
2-OXO-2,3-DIHYDRO-1H-INDOLE
A1KE90.73
XLC3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]-
4-[(4-METHYL-1-PIPERAZINYL)METHYL]-
2-THIOPHENECARBOXAMIDE
A,L1MQ50.82
738N-(3-cyano-4,5,6,7-tetrahydro-1-
benzothien-2-yl)-2-fluorobenzamide
A2O2U0.73
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.72
ME55-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-
2-CARBOXAMIDE
A2P950.82
1603-(3-{2-[(5-METHANESULFONYL-THIOPHENE-
2-CARBONYL)-AMINO]-ETHYLDISULFANYLMETHYL}-
BENZENESULFONYLAMINO)-4-OXO-PENTANOIC ACID
A,B1NMQ0.73
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1VRU0.71
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1HPZ0.71
SX34-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}aniline
A,B3CJ20.71
LZG5-CHLORO-THIOPHENE-2-CARBOXYLIC ACID ((3S,4S)-
4-FLUORO- 1-{[2-FLUORO-4-(2-OXO-
2H-PYRIDIN-1-YL)-PHENYLCARBAMOYL]-
METHYL}-PYRROLIDIN-3-YL)-AMIDE
A2VWO0.74
BOSN-[4-(AMINOSULFONYL)PHENYL]-2-MERCAPTOBENZAMIDEA2HD60.73
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
A1KE50.76
AAA(2-ACETYL-5-METHYLANILINO)(2,6-
DIBROMOPHENYL)ACETAMIDE
A1HNI0.71
SG21-METHYL-3-OXO-1,3-DIHYDRO-BENZO[C]ISOTHIAZOLE-
5-SULFONIC ACID AMIDE
A1KWR0.73
CRIA,B1VKG0.7
K02(5R)-N,N-DIETHYL-5-METHYL-2-[(THIOPHEN-
2-YLCARBONYL)AMINO]-4,5,6,7-TETRAHYDRO-
1-BENZOTHIOPHENE-3-CARBOXAMIDE
A,B2UYI0.84
IPC3-[ISOPROPYL(4-METHYLBENZOYL)AMINO]-
5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
A1YVX0.77
4CP2-[2-(4-CHLORO-PHENYLSULFANYL)-
ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-
PROPIONAMIDE
H,I2BVR0.72
ISNISATINA,B1OJA0.72
ISNISATINA,B2BK50.72
38M3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-
2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-
4(3H)-one
A3F9N0.71
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE
A,B1UK10.7
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1PI50.71
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A1NXY0.71
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1MXO0.71
SM2(1R)-1-(2-THIENYLACETYLAMINO)-1-
(3-CARBOXYPHENYL)METHYLBORONIC ACID
A,B1YM10.71
2LG2-CHLORO-N-(3-CYANO-5,6-DIHYDRO-
4H-CYCLOPENTA[B]THIOPHEN-2-YL)-
5-DIETHYLSULFAMOYL-BENZAMIDE
A2AM20.7
PF3(2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-
THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID
A,B1UTZ0.71
K03N,N-DIETHYL-5,5-DIMETHYL-2-[(2-
THIENYLCARBONYL)AMINO]-4,5,6,7-
TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
A,B2UYM0.84
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.7
C0MN-{3-CYANO-6-[3-(1-PIPERIDINYL)PROPANOYL]-
4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDIN-
2-YL}1-NAPHTHALENECARBOXAMIDE
A2O0U0.72
PMZ1-[10-(3-DIMETHYLAMINO-PROPYL)-
10H-PHENOTHIAZIN-2-YL]-ETHANONE
A1LVJ0.73
AXX2-[(CYCLOPROPYLCARBONYL)AMINO]-
4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-
3-CARBOXAMIDE
A,B2PZI0.74
H225-chloro-N-[(3R)-1-(2-{[2-fluoro-
4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-
2-oxoethyl)pyrrolidin-3-yl]thiophene-
2-carboxamide
A2VVU0.74
NC1NITROCEFIN ACYL-SERINEA,B1MWS0.71
NC1NITROCEFIN ACYL-SERINEA2UWX0.71
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
KMB2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-
3H-QUINAZOLIN-4-ONE
A1Q660.73
ME15-CHLORO-N-(2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-
2-CARBOXAMIDE
A2P930.82
BHB2,6-DIAMINO-8-(2-DIMETHYLAMINOETHYLSULFANYLMETHYL)-
3H-QUINAZOLIN-4-ONE
A1Q650.71
LZI(4R)-4-{[(5-chlorothiophen-2-yl)carbonyl]amino}-
N-(cyclopropylmethyl)-1-(2-{[2-
fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-
2-oxoethyl)-L-prolinamide
A,B2VWM0.72
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.72
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.78
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.78
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.78
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
A,B,C2FDP0.7
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.73
K01N,N-DIETHYL-2-[(2-THIENYLCARBONYL)AMINO]-
4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-
3-CARBOXAMIDE
A,B2PG20.85
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.7