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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02863942

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A1SLN0.76
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A2SRT0.76
INHN-(R-CARBOXY-ETHYL)-ALPHA-(S)-(2-
PHENYLETHYL)GLYCYL-L-ARGININE-N-
PHENYLAMIDE
A3BG80.76
PNEPARA-NITROPHENYL PHOSPHONOBUTANOYL L-
ALANINE
L1KN20.71
HFTHYDROXYFLUTAMIDEA2AX60.77
DOE(S)-2-(4-(2-(2-HYDROXYETHYLTHIO)-
ACETAMIDO)-BENZYL)-1,4,7,10-TETRAAZACYCLODODECANE-
N,N',N'',N'''-TETRAACETATE
A,B,C,D1NC20.73
UN6(3-{[3-(3-SULFOAMINO-PHENYL)-PROPIONYLAMINO]-
METHYL}-PHENYL)-SULFAMIC ACID
A2F700.74
AAHH1KEL0.8
AAHB,H1FL60.8
NPC4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-
AMINOCAPROIC ACID ANION
H,I,J1A6V0.75
PNCPARA-NITROBENZYL GLUTARYL GLYCINIC ACIDL1YEF1
BANHONH-BENZYLMALONYL-L-ALANYLGLYCINE-
P-NITROANILIDE
A5TLN0.78
PPNPARA-NITROPHENYLALANINEI1YTJ0.81
TNSA,B,L2G2R0.79
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1HFC0.7
PLHMETHYLAMINO-PHENYLALANYL-LEUCYL-
HYDROXAMIC ACID
A1MNC0.7
INFD-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA1HDQ0.72
GEPN-METHYL-N-(PARA-GLUTARAMIDOPHENYL-
ETHYL)-PIPERIDINIUM ION
L25C80.77
FG1N-[4-(2-{2-[3-(2-BROMO-ACETYLAMINO)-
PROPIONYLAMINO]-3-HYDROXY-PROPIONYLAMINO}-
ETHYL)-PHENYL]-OXALAMIC ACID
A1NWE0.74
DOF(S)-2-(4-NITROBENZYL)-1,4,7,10-
TETRAAZACYCLODODECANE-N,N',N'',N'''-
TETRAACETATE
A,B,C,D1NC40.81
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY50.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY80.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY90.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XXZ0.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY40.7
IAM4-[(ISOPROPYLAMINO)METHYL]PHENYLALANINEA1XY60.7
LO1[[4-(AMINOMETHYL)PHENYL]AMINO]OXO-
ACETIC ACID,
A1WAX0.82
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSK0.74
MLN(S)-2-(PHOSPHONOXY)CAPROYL-L-LEUCYL-
P-NITROANILIDE
A1BSJ0.74
NP1N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINEA1WUG0.73
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.7
CL8CHLORAMPHENICOL SUCCINATEA,B,C,D,E,F2JKN0.72
GNBS-P-NITROBENZYLOXYCARBONYLGLUTATHIONEA,B,C,D1QIP0.74
1C23(S)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER
A2F6T0.72
GA0GLYCYLALANYL-N-2-NAPHTHYL-L-PROLINEAMIDEA2DCM0.71
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1INE0.72
EOT[(1-[(BIS-CARBOXYMETHYL-AMINO)-
METHYL]-2-{4-[3-(2-HYDROXY-ETHYL)-
THIOUREIDO]-PHENY}-ETHYL)-CARBOXYMETHYL-
AMINO]-ACETIC ACID
H1IND0.72
MN21-CARBOXYETHYLAMINOMETHYL-4-AMINOMETHYLBENZENEN1NLO0.71
GIPS-(N-HYDROXY-N-IODOPHENYLCARBAMOYL)GLUTATHIONEA,B1QIN0.71
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1C3S0.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C3C0Z0.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA1T690.72
SHHOCTANEDIOIC ACID HYDROXYAMIDE PHENYLAMIDEA,B,C,D1ZZ10.72
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SN90.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1SNE0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B,C,D1SNA0.71
DBZ3-(BENZOYLAMINO)-L-ALANINEA,B1XOF0.71
MX3(1-{4-[BENZYL(METHYL)AMINO]-4-OXOBUTANOYL}HYDRAZINO)ACETIC ACIDI2C2O0.73
BRXBROMAMPHENICOLA,B,C,D,E,F2JKL0.73
NIP4-HYDROXY-5-IODO-3-NITROPHENYLACETYL-
EPSILON-AMINOCAPROIC ACID ANION
H1A6W0.74
LZ6L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-
chloroethyl)amino}ethyl)-L-cysteinylglycine
A,B,C,D3CSI0.7
LZ6L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-
chloroethyl)amino}ethyl)-L-cysteinylglycine
A,B3CSH0.7
PNZP-NITRO-BENZYLAMINEA,D,H2HJ40.73
PNZP-NITRO-BENZYLAMINEA,B2C700.73
NDFN-(CARBOXYCARBONYL)-D-PHENYLALANINEA1YCI0.72
BHM(R)-3-BROMO-2-HYDROXY-2-METHYL-
N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]PROPANAMIDE
A2AX90.74
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAD0.84
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D,E,F1GTI0.84
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2OAC0.84
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B1GLQ0.84
GTBS-(P-NITROBENZYL)GLUTATHIONEB,D2QMC0.84
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B2VO40.84
GTBS-(P-NITROBENZYL)GLUTATHIONEA,B,C,D1K0C0.84
01W(2S)-2-ammonio-4-[(2,4-dinitrophenyl)amino]butanoateA,B3DS90.73
CLCN-ACETYL-P-NITROPHENYLSERINOLA1GRR0.75
PDEPARA-NITROPHENYL PHOSPHONOBUTANOYL D-
ALANINE
L1KN40.71
HNT[(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-
3-YL]METHANOL
A,B2G700.73
NPGN-SUCCINYL PHENYLGLYCINEA,B,C,D1SJD0.72
NOXN-(PARA-GLUTARAMIDOPHENYL-ETHYL)-
PIPERIDINIUM-N-OXIDE
L35C80.81
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B5GST0.73
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A1HNA0.73
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B1VF30.73
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B,C,D1HNC0.73
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B,C1XWK0.73
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B18GS0.73
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A1GSQ0.73
GDNGLUTATHIONE S-(2,4 DINITROBENZENE)A,B1HNB0.73
KELN-[(2R)-2-benzyl-4-(hydroxyamino)-
4-oxobutanoyl]-L-alanine
X3B7U0.75
MNP2-(3-NITROPHENYL)ACETIC ACIDB1AI50.7
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H1UB50.76
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,B,H,L3CFB0.76
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDB,H3CFD0.76
SPB4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACIDA,L1FL30.76
W22[(2S)-4-methyl-3-oxo-2,3,4,5-tetrahydro-
1H-1,4-benzodiazepin-2-yl]acetic acid
A,B2WKW0.74
RA4N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-
{[AMINO(IMINO)METHYL]AMINO}BUTYL)-
L-PROLINAMIDE
H,I1YPM0.74
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
A,L1YED0.81
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H,L1YEC0.81
PNB4-NITRO-BENZYLPHOSPHONOBUTANOYL-
GLYCINE
H1YEE0.81
MY3[N-(3-BENZYLCARBAMOYL-OXIRANECARBONYL)-
HYDRAZINO] - ACETIC ACID
A,I2CNL0.71
MX5{1-[4-(3,4-DIHYDROQUINOLIN-1(2H)-
YL)-4-OXOBUTANOYL]HYDRAZINO}ACETIC ACID
B,I2C2Z0.75
CLMCHLORAMPHENICOLA1K010.71
CLMCHLORAMPHENICOL1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1NJI0.71
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKL0.71
CLMCHLORAMPHENICOLA2XAT0.71
CLMCHLORAMPHENICOLA4CLA0.71
CLMCHLORAMPHENICOLA1CLA0.71
CLMCHLORAMPHENICOLA,B,C,D,E,F1USQ0.71
CLMCHLORAMPHENICOLA,B,C,D,E,F2JKJ0.71
CLMCHLORAMPHENICOLA,B2UXP0.71
CLMCHLORAMPHENICOLA1QHS0.71
CLMCHLORAMPHENICOLA1QHY0.71
CLMCHLORAMPHENICOLA3CLA0.71
AAN2-(4-NITROPHENYL)ACETIC ACIDB1AJN0.72
PGGPARA-NITROPHENYLPHOSPHONOBUTANOYL-
GLYCINE
L1YEI0.72
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3F060.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZP0.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A3EW80.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A,B3EZT0.74
B3N4-DIMETHYLAMINO-N-(6-HYDROXYCARBAMOYETHYL)BENZAMIDE-
N-HYDROXY-7-(4-DIMETHYLA MINOBENZOYL)AMINOHEPTANAMIDE
A1T670.74
S2DN-BENZOYL-D-ALANINEA,B2JCI0.74
LHYL-[(N-HYDROXYAMINO)CARBONYL]PHENYLALANINEA,B,D,E1HEE0.72
002N-[(2R)-2-BENZYL-4-(HYDROXYAMINO)-
4-OXOBUTANOYL]-L-ISOLEUCYL-L-LEUCINE
A,B2FV90.72
PRQ(3S)-3-amino-3-(2-nitrophenyl)propanoic acidC,F,I,L2VE60.76
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1R1I0.71
TI1[2(R,S)-2-SULFANYLHEPTANOYL]-PHE-
ALA
A1QF10.71
ENT3(R)-METHYLCARBAMOYL-7-SULFOAMINO-
3,4-DIHYDRO-1H-ISOQUINOLINE-2-CARBOXYLIC ACID TERT-
BUTYL ESTER
A2F6Y0.72