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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01068588

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
2CEN-[2-(2-CARBAMOYLMETHOXY-ETHOXY)-
ETHYL]-2-[2-(4-CHLORO-PHENYLSULFANYL)-
ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-
PROPIONAMIDE
H,I2BVS0.72
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A,B1Q410.72
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A,B1UNH0.72
IXM(Z)-1H,1'H-[2,3']BIINDOLYLIDENE-
3,2'-DIONE-3-OXIME
A2QKR0.72
468(3S)-N-(3-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7P0.77
H186-CHLORO-4-(CYCLOHEXYLSULFINYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TL10.72
22UD-phenylalanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZC90.74
FRY(2S)-N-[(3S)-1-(2-AMINO-2-OXOETHYL)-
2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-
3-YL]-2-CHLORO-2H-THIENO[2,3-B]PYRROLE-
5-CARBOXAMIDE
A,B2IEG0.72
SX44-bromo-2-{[(2R)-2-(2-chlorobenzyl)pyrrolidin-
1-yl]carbonyl}aniline
A,B3CJ30.7
38M3-(3-chlorophenyl)-2-({(1S)-1-[(6S)-
2,8-diazaspiro[5.5]undec-2-ylcarbonyl]pentyl}sulfanyl)quinazolin-
4(3H)-one
A3F9N0.71
ME15-CHLORO-N-(2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-
2-CARBOXAMIDE
A2P930.75
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,B2VWM0.71
4CP2-[2-(4-CHLORO-PHENYLSULFANYL)-
ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-
PROPIONAMIDE
H,I2BVR0.78
744(3S)-N-(5-CHLORO-2-METHYLPHENYL)-
1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-
CARBOXAMIDE
A2H7N0.77
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
A2VWO0.72
H166-CHLORO-4-(CYCLOHEXYLSULFANYL)-
3-PROPYLQUINOLIN-2(1H)-ONE
A1TKZ0.73
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1VRU0.72
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1HPZ0.72
5215-(4-CHLORO-5-PHENYL-3-THIENYL)-
1,2,5-THIADIAZOLIDIN-3-ONE 1,1-
DIOXIDE
A2NTA0.76
23Ubeta-phenyl-D-phenylalanyl-N-(3-
chlorobenzyl)-L-prolinamide
H,I3DHK0.71
INRA,C1E9H0.7
INRA1UZU0.7
INRA,B1V0O0.7
ME55-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-
1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-
2-CARBOXAMIDE
A2P950.75
641(3S)-1-CYCLOHEXYL-N-(3,5-DICHLOROPHENYL)-
5-OXOPYRROLIDINE-3-CARBOXAMIDE
A2H7M0.73
XLC3-CHLORO-N-[4-CHLORO-2-[[(4-CHLOROPHENYL)AMINO]CARBONYL]PHENYL]-
4-[(4-METHYL-1-PIPERAZINYL)METHYL]-
2-THIOPHENECARBOXAMIDE
A,L1MQ50.75
J605-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]-N-[2-
(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-
1H-PYRROLE-3-CARBOXAMIDE
A,B2JAM0.71
GSV2-(5-chlorothiophen-2-yl)-N-{(3S)-
1-[3-fluoro-2'-(methylsulfonyl)biphenyl-
4-yl]-2-oxopyrrolidin-3-yl}ethanesulfonamide
A2VH60.76
3CY(3S)-3-[({(2S)-5-[(N-ACETYL-L-ALPHA-
ASPARTYL)AMINO]-4-OXO-1,2,4,5,6,7-
HEXAHYDROAZEPINO[3,2,1-HI]INDOL-
2-YL}CARBONYL)AMINO]-5-(BENZYLSULFANYL)-
4-OXOPENTANOIC ACID
A1RHU0.7
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.76
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.7
LS53-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-
2-OXO-2,3-DIHYDRO-1H-INDOLE
A1KE90.71
64U3-cyclohexyl-D-alanyl-N-(3-chlorobenzyl)-
L-prolinamide
H,I3DUX0.72
FXI1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-
N-[3-fluoro-2'-(methylsulfonyl)biphenyl-
4-yl]cyclopropanecarboxamide
A2Q1J0.71
BL14-chloro-N-[(2S)-2-methyl-2,3-dihydro-
1H-indol-1-yl]-3-sulfamoylbenzamide
A3BL10.72
NNCO-[2-(1,3-dioxo-1,3-dihydro-2H-
isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate
A2VG50.75
BM1(R)-(+)9B-(3-METHYL)PHENYL-2,3-
DIHYDROTHIAZOLO[2,3-A]ISOINDOL-
5(9BH)-ONE
A1C0T0.7
H225-chloro-N-[(3R)-1-(2-{[2-fluoro-
4-(2-oxopyridin-1(2H)-yl)phenyl]amino}-
2-oxoethyl)pyrrolidin-3-yl]thiophene-
2-carboxamide
A2VVU0.72
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
A1KE50.72