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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01251132

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SAB4-SULFONAMIDE-[1-(4-AMINOBUTANE)]BENZAMIDEA1OKM0.82
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
EOAN-PHENETHYL-FORMAMIDEH,I1A5G0.72
KR2(2R)-4-(2-BENZOYL-1,2-DIAZEPAN-
1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-
2-AMINE
A,B2OLE0.77
IPP(P-IODOPHENYLACETYLAMINO)METHYLPHOSPHINIC ACIDA,B1BLS0.72
ICXmethyl N-[(5Z)-6-({[4-(4-iodobenzyl)phenyl]carbonyl}amino)hex-
5-enoyl]glycinate
A,C,D,E,G,P,
Q,R,W
3CWB0.76
BSA2-(BENZOYLAMINO)ETHANESULFONIC ACIDA1YQS0.82
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.72
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.72
MPQN-METHYL-ALPHA-PHENYL-GLYCINED1D6E0.7
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.72
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.72
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
H,L1D6V0.7
HOP(1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-
5-PHENYL-1-CYCLOHEXANOL
A,B,H,L1AXS0.7
BTMN-benzyl-N,N-diethylethanaminiumA,B2Q9Y0.7
MBH1-BENZYL-1-METHYL-1-(2-ACETYL)HYDRAZINIUM IONA1BMA0.7
24U1-butanoyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZI20.71
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.73
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G450.79
FSBN-(2-FLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G1D0.79
DI5AC-(D)PHE-PRO-BOROHOMOORNITHINE-
OH
H1LHG0.72
HIN(2S) N-ACETYL-L-ALANYL-ALPHAL-PHENYLALANYL-
CHLOROETHYLKETONE
B2GMT0.71
BASN-(1-PHENYL-PROPYL)-FORMAMIDEE,F,G,H1NJU0.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEY,Z1JQ70.75
BASN-(1-PHENYL-PROPYL)-FORMAMIDEC1NKM0.75
DHQ3,4-DIHYDRO-5-METHYL-ISOQUINOLINONEA1PAX0.84
SX34-bromo-2-{[(3R,5S)-3,5-dimethylpiperidin-
1-yl]carbonyl}aniline
A,B3CJ20.71
31UD-leucyl-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZNK0.7
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.75
DI2AC-(D)PHE-PRO-BOROLYS-OHH1LHD0.72
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNS0.92
P214-chloro-N-(3-methoxypropyl)-N-
[(3S)-1-(2-phenylethyl)piperidin-
3-yl]benzamide
A2VD40.71
PHMPHENYLALANYLMETHANEA,I1PJP0.71
PHMPHENYLALANYLMETHANEA,B,C2J9J0.71
PHMPHENYLALANYLMETHANEA,B,C2JE40.71
CRIA,B1VKG0.7
F20N-BENZOYL-L-PHENYLALANYL-4-[(5S)-
1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-
5-YL]-L-PHENYLALANINAMIDE
A2CMA0.72
FR12-[4-[[(S)-1-[[(S)-2-[[(RS)-3,3,3-
TRIFLUORO-1-ISOPROPYL-2-OXOPROPYL]AMINOCARBONYL]PYRROLIDIN-
1-YL-]CARBONYL]-2-METHYLPROPYL]AMINOCARBONYL]BENZOYLAMINO]ACETIC ACID
N1MMJ0.73
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G460.79
F2BN-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G520.79
BVATRIHYDROXY[(N-HYDROXYBENZAMIDATO)OXO]VANADATEB,C2P8O0.75
PSSETHYLAMINOBENZYLMETHYLCARBONYL GROUPA1EAG0.74
B15[2,2'-({4-[({2-[4-(AMINOSULFONYL)PHENYL]ETHYL}AMINO)CARBONYL]BENZYL}IMINO)DIACETATO(2-
)-KAPPAO]COPPER
A2FOQ0.72
BNFN-BENZYLFORMAMIDEA,B1U3U0.78
LAZN-(2-AMINOETHYL)-P-CHLOROBENZAMIDEA,B1OJC0.78
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1PI40.71
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B2FFY0.71
SM3(1R)-1-(2-THIENYLACETYLAMINO)-1-
PHENYLMETHYLBORONIC ACID
A,B1MY80.71
3AB3-aminobenzamideA,B,C,D3GOY0.73
DI4AC-(D)PHE-PRO-BOROHOMOLYS-OHH1LHF0.72
BSBN-BENZYL-4-SULFAMOYL-BENZAMIDEA1G4O0.81
INV4-(AMINOSULFONYL)-N-[(4-FLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9L0.79
S2DN-BENZOYL-D-ALANINEA,B2JCI0.83
BHOBENZHYDROXAMIC ACIDA,B1GX20.77
BHOBENZHYDROXAMIC ACIDA1HSR0.77
BHOBENZHYDROXAMIC ACIDA,B2ATJ0.77
BHOBENZHYDROXAMIC ACIDA,B4ATJ0.77
BHOBENZHYDROXAMIC ACIDA,B3ATJ0.77
BHOBENZHYDROXAMIC ACIDA3GCK0.77
BHOBENZHYDROXAMIC ACIDA,B,C,D,E,F,
G,H
2BOY0.77
53UD-phenylalanyl-N-benzyl-L-prolinamideH,I2ZFF0.75
EG1AMINOMETHYLENECARBONYLAMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNW0.72
FAF2-ACETYLAMINO-4-METHYL-PENTANOIC ACID (1-
FORMYL-2-PHENYL-ETHYL)-AMIDE
B,C1GGD0.74
KHA1-(4-{[(2-HYDROXYETHYL)AMINO]CARBONYL}BENZYL)-
1-METHYLPIPERIDINIUM
H,L,X,Y1UWG0.84
29U1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-
L-prolinamide
H,I2ZGX0.71
4PIN-(4-METHYLBENZOYL)-4-BENZYLPIPERIDINEA,B2NSD0.82
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.81
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.81
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.81
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.81
6054'-[(1R)-1-amino-2-(2,5-difluorophenyl)ethyl]biphenyl-
3-carboxamide
A,B3D4L0.74
INW4-(AMINOSULFONYL)-N-[(2,4-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9M0.79
YC2N-{[(1S)-1-carboxy-5-{[(4-iodophenyl)carbonyl]amino}pentyl]carbamoyl}-
L-glutamic acid
A3D7H0.71
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide
A,B3CNT0.92
TTXTENTOXINB1KMH0.74
EG2AMINODI(ETHYLOXY)ETHYLAMINOCARBONYLBENZENESULFONAMIDEA1CNX0.75
BACN-(4-IODO-BENZYL)-FORMAMIDEA,B,C,D2WPO0.75
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.73
KAFN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-phenylalanine
A3BKK0.7
U1N4-[(3R)-3-{[2-(4-FLUOROPHENYL)-
2-OXOETHYL]AMINO}BUTYL]BENZAMIDE
A,B2OGZ0.8
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.73
NDLN-BENZOYL-L-NORLEUCYL-L-LYSYL-L-
ARGINYL-L-ARGININE
B2FP70.7
271N-methyl-1-phenylmethanamineX2RBT0.75
IOC4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9O0.79
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine
A2ZGA0.7
YDP(3S,4S),-3,4-Bis-[(4-carbamoyl-
benzensulfonyl)-(3-methyl-but-2-
enyl)-amino]-pyrrolidine
A,B3CKT0.7
51UD-phenylalanyl-N-(3-methylbenzyl)-
L-prolinamide
H,I2ZF00.74
IOE4-(AMINOSULFONYL)-N-[(2,4,6-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9P0.79
19U1-[(2R)-2-aminobutanoyl]-N-(3-chlorobenzyl)-
L-prolinamide
H,I2ZFP0.7
FPBN-({(2S)-1-[(3R)-3-AMINO-4-(2-FLUOROPHENYL)BUTANOYL]PYRROLIDIN-
2-YL}METHYL)BENZAMIDE
A,B2BUB0.79
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G4J0.78
FFBN-(2,3,4,5,6-PENTAFLOURO-BENZYL)-
4-SULFAMOYL-BENZAMIDE
A1G540.78
FPA1,1 DIFLUORO-N-PHENYLETHYL ACETAMIDEE,I4EST0.75
STB4-SULFONAMIDE-[4-(THIOMETHYLAMINOBUTANE)]BENZAMIDEA1OKN0.8
37UD-phenylalanyl-N-(3-fluorobenzyl)-
L-prolinamide
H,I2ZDV0.73
26UN-(4-carbamimidoylbenzyl)-1-(4-
methylpentanoyl)-L-prolinamide
H,I2ZIQ0.7
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A2STD0.71
CRP((1RS,3SR)-2,2-DICHLORO-N-[(R)-
1-(4-CHLOROPHENYL)ETHYL]-1-ETHYL-
3-METHYLCYCLOPROPANECARBOXAMIDE
A,B,C7STD0.71
RXAisoquinoline-1,3,4(2H)-trioneA,B,C,D3DEH0.74
I062-PHENETHYL-2,3-DIHYDRO-PHTHALAZINE-
1,4-DIONE
D,E,F,G,H,L,
M,N,O,P
1EEF0.76
F1HN-(1-benzylpiperidin-4-yl)-4-sulfanylbutanamideA2ZJH0.74
LPF1,1,1-TRIFLUORO-3-((N-ACETYL)-L-
LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-
ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G7GCH0.73
GK5N~3~-cyclopropyl-N~4~'-(cyclopropylmethyl)-
6-methylbiphenyl-3,4'-dicarboxamide
A3D7Z0.82
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
B,C1GG60.75
APF1,1,1-TRIFLUORO-3-ACETAMIDO-4-PHENYL BUTAN-
2-ONE(N-ACETYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
G6GCH0.75
565(3R)-4-[(3R)-3-AMINO-4-(2,4,5-TRIFLUOROPHENYL)BUTANOYL]-
3-METHYL-1,4-DIAZEPAN-2-ONE
A,B2IIV0.7
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G480.79
F6BN-(2,6-DIFLOURO-BENZYL)-4-SULFAMOYL-
BENZAMIDE
A1G530.79
R01(4'-{[ALLYL(METHYL)AMINO]METHYL}-
1,1'-BIPHENYL-4-YL)(4-BROMOPHENYL)METHANONE
A,B,C1H350.71
IOA4-(AMINOSULFONYL)-N-[(2,5-DIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9N0.79
44Ubeta-phenyl-D-phenylalanyl-N-propyl-
L-prolinamide
B,D3DA90.7
TTT5-amino-2-methyl-N-[(1R)-1-naphthalen-
1-ylethyl]benzamide
A3E9S0.73
NFAPHENYLALANINE AMIDEA,B,C,D2BTJ0.74
NFAPHENYLALANINE AMIDEA,B,C,D,E,F2EFX0.74
NFAPHENYLALANINE AMIDEA,B,C,D2VVJ0.74
NFAPHENYLALANINE AMIDEA2A4O0.74
NFAPHENYLALANINE AMIDEA,B1XAE0.74
NFAPHENYLALANINE AMIDEA,B,C,D2OGR0.74
NFAPHENYLALANINE AMIDEA,B,C,D1QA70.74
NFAPHENYLALANINE AMIDEA,B,C,D2GW40.74
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIM0.72
PHCN-METHYL-N-(METHYLBENZYL)FORMAMIDEA,B1BIL0.72
BFBN-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDEA2DW50.8
SEI1-{3-METHYL-2-[4-(MORPHOLINE-4-
CARBONYL)-BENZOYLAMINO]-BUTYRYL}-
PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-
PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-
AMIDE
A1B0F0.71
SEI1-{3-METHYL-2-[4-(MORPHOLINE-4-
CARBONYL)-BENZOYLAMINO]-BUTYRYL}-
PYRROLIDINE-2-CARBOXYLIC ACID (3,3,4,4,4-
PENTAFLUORO-1-ISOPROPYL-2-OXO-BUTYL)-
AMIDE
A1B0E0.71
TF14-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-
3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-
1-YL}CARBONYL)BENZONITRILE
A2BU50.75
TF14-({(2R,5S)-2,5-DIMETHYL-4-[(2R)-
3,3,3-TRIFLUORO-2-HYDROXY-2-METHYLPROPANOYL]PIPERAZIN-
1-YL}CARBONYL)BENZONITRILE
A2BU20.75
5FH(5S)-5-benzylimidazolidine-2,4-
dione
A2JLO0.71
IOF4-(AMINOSULFONYL)-N-[(3,4,5-TRIFLUOROPHENYL)METHYL]-
BENZAMIDE
A1I9Q0.79
JNH1-[2-(S)-AMINO-3-BIPHENYL-4-YL-
PROPIONYL]-PYRROLIDINE-2-(S)-CARBONITRILE
I,J2AJL0.72
MINMETHYL-PHE-PRO-AMINO-CYCLOHEXYLGLYCINEH,I1TOM0.71
BAGN-[(E)-2-AMINO-1-(3-{[AMINO(IMINO)METHYL]AMINO}PROPYL)-
2-HYDROXYVINYL]BENZAMIDE
A1WDA0.78
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER
A2FOV0.73
B30{2,2'-[(2-{[4-(AMINOSULFONYL)BENZOYL]AMINO}ETHYL)IMINO]DIACETATO(2-
)-KAPPAO}COPPER
A,B2FOY0.73