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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00027159

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SU23-[4-(1-FORMYLPIPERAZIN-4-YL)-BENZYLIDENYL]-
2-INDOLINONE
A,B1AGW0.75
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.7
4DP3-[5-(DIMETHYLAMINO)-1,3-DIOXO-
1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-
ALANINE
C2IPK0.76
INRA,C1E9H0.71
INRA1UZU0.71
INRA,B1V0O0.71
23IN-[(1S,2S,4R)-2-HYDROXY-1-ISOBUTYL-
5-({(1S)-1-[(ISOPROPYLAMINO)CARBONYL]-
2-METHYLPROPYL}AMINO)-4-METHYL-
5-OXOPENTYL]-5-[METHYL(METHYLSULFONYL)AMINO]-
N'-[(1R)-1-PHENYLETHYL]ISOPHTHALAMIDE
A,B,C,D2P4J0.71
ISNISATINA,B1OJA0.75
ISNISATINA,B2BK50.75
VG0N-{(1S,2R)-1-benzyl-2-hydroxy-3-
[(1,1,5-trimethylhexyl)amino]propyl}-
3-(ethylamino)-5-(2-oxopyrrolidin-
1-yl)benzamide
A2VIE0.71
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1VRU0.71
AAPALPHA-(2,6-DICHLOROPHENYL)-ALPHA-
(2-ACETYL-5-METHYLANILINO)ACETAMIDE
A1HPZ0.71
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
A1RHU0.71
FRQ5-FLUORO-1-[4-(4-PHENYL-3,6-DIHYDROPYRIDIN-
1(2H)-YL)BUTYL]QUINAZOLINE-2,4(1H,3H)-
DIONE
A,B1UK10.73
L04A1HFS0.7
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B3GEY0.74
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A3CE00.74
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B1XK90.74
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A2Q6M0.74
P34N~2~,N~2~-DIMETHYL-N~1~-(6-OXO-
5,6-DIHYDROPHENANTHRIDIN-2-YL)GLYCINAMIDE
A,B,C,D,E,F1ZM90.74
ENT3(R)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER
A2F6Y0.71
MU1N~2~-ACETYL-N-[(1S,3S,4S)-4-({[(5S)-
3-(3-ACETYLPHENYL)-2-OXO-1,3-OXAZOLIDIN-
5-YL]CARBONYL}AMINO)-1-BENZYL-3-
HYDROXY-5-PHENYLPENTYL]-L-VALINAMIDE
A,B2Q540.7
AAA(2-ACETYL-5-METHYLANILINO)(2,6-
DIBROMOPHENYL)ACETAMIDE
A1HNI0.71
PMZ1-[10-(3-DIMETHYLAMINO-PROPYL)-
10H-PHENOTHIAZIN-2-YL]-ETHANONE
A1LVJ0.71
B22[2,2'-{[2-({3-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]PHENYL}AMINO)-
2-OXOETHYL]IMINO}DIACETATO(2-)-
KAPPAO]COPPER
A2FOU0.72
MY9N-{(1S,2S)-1-BENZYL-2-HYDROXY-2-
[(4S)-1,2,2-TRIMETHYL-5-OXOIMIDAZOLIDIN-
4-YL]ETHYL}-N'-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-
5-[METHYL(METHYLSULFONYL)AMINO]ISOPHTHALAMIDE
A2P8H0.74
CRIA,B1VKG0.72
009(4S)-1,4-dibenzyl-N-[(1S,2R)-1-
benzyl-3-{[3-(dimethylamino)benzyl]amino}-
2-hydroxypropyl]-2-oxoimidazolidine-
4-carboxamide
A,B,C3CKR0.7
AN91,5-BIS[3-(DIETHYLAMINO)PROPIONAMIDO]ANTHRACENE-
9,10-DIONE
A,B1XCU0.72
LS1N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
A1KE50.73
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.73
529(2S)-N-[(3Z)-5-CYCLOPROPYL-3H-PYRAZOL-
3-YLIDENE]-2-[4-(2-OXOIMIDAZOLIDIN-
1-YL)PHENYL]PROPANAMIDE
A,C,D2BPM0.71
AAFMETHYL 4-{[({[(2R,5S)-5-{[(2S)-
2-(AMINOMETHYL)PYRROLIDIN-1-YL]CARBONYL}PYRROLIDIN-
2-YL]METHYL}AMINO)CARBONYL]AMINO}BENZOATE
B2G630.71
IXSN-[(1S)-1-benzyl-2-{[(1S)-2-(isobutylamino)-
1-methyl-2-oxoethyl]amino}ethyl]-
N'-[(1R)-1-(4-fluorophenyl)ethyl]-
5-[methyl(methylsulfonyl)amino]isophthalamide
A2QZL0.74
MEFN-({4-[(6aR)-3-amino-1-oxo-1,2,5,6,6a,7-
hexahydroimidazo[1,5-f]pteridin-
8(9H)-yl]phenyl}carbonyl)-L-glutamic acid
A3BGX0.71
LS53-{[4-([AMINO(IMINO)METHYL]AMINOSULFONYL)ANILINO]METHYLENE}-
2-OXO-2,3-DIHYDRO-1H-INDOLE
A1KE90.71
FRPN1-((2S,3S,5R)-3-AMINO-6-(4-FLUOROPHENYLAMINO)-
5-METHYL-6-OXO-1-PHENYLHEXAN-2-
YL)-N3,N3-DIPROPYLISOPHTHALAMIDE
A,B,C2FDP0.72
NNIO-[2-(1,3-dioxo-1,3-dihydro-2H-
isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate
A2VG70.72
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE
A2CMA0.71
4CP2-[2-(4-CHLORO-PHENYLSULFANYL)-
ACETYLAMINO]-3-(4-GUANIDINO-PHENYL)-
PROPIONAMIDE
H,I2BVR0.71
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPM0.73
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,B2IEG0.71
VG7N-[(1S,2R)-1-benzyl-3-(cyclohexylamino)-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxopyrrolidin-1-yl)benzamide
A2VJ90.72
XINmethyl (3Z)-3-{[(4-{methyl[(4-methylpiperazin-
1-yl)acetyl]amino}phenyl)amino](phenyl)methylidene}-
2-oxo-2,3-dihydro-1H-indole-6-carboxylate
A3C7Q0.71
VG5N-[(1S,2R)-1-benzyl-3-{[(1S)-2-
(cyclohexylamino)-1-methyl-2-oxoethyl]amino}-
2-hydroxypropyl]-3-(ethylamino)-
5-(2-oxo-2,3-dihydro-1H-pyrrol-
1-yl)benzamide
A2VJ60.72
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDX2IJG0.71
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B2J4D0.71
MHF5,10-METHENYL-6,7,8-TRIHYDROFOLIC ACIDA,B1DNP0.71
1C23(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER
A2F6T0.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1RXH0.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1I9H0.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B2FHL0.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1RXK0.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B2OFB0.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B1IJ80.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B2OF80.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
A,B,C,D1RXJ0.71
BNI5-(2-OXO-HEXAHYDRO-THIENO[3,4-D]IMIDAZOL-
6-YL)-PENTANOIC ACID (4-NITRO-PHENYL)-
AMIDE
X,Y2FHN0.71