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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00814875

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
TY23-AMINO-L-TYROSINEA,B2VH30.7
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.74
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.71
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.73
DMBA,B1SRI0.72
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.74
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.7
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.72
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.76
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid
A,B2ZNQ0.76
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.74
HABA,B1SRE0.74
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.73
DTYD-TYROSINEA1C4B0.71
DTYD-TYROSINEA,L1ZEA0.71
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.71
DTYD-TYROSINEA,B1UNO0.71
DTYD-TYROSINEA2IGZ0.71
DTYD-TYROSINEA,B,C,H,K,L2R5D0.71
DTYD-TYROSINEA,B2Q330.71
DTYD-TYROSINEH,S2H9E0.71
DTYD-TYROSINEA,B,C,H,K,L2R5B0.71
DTYD-TYROSINEA2IH00.71
DTYD-TYROSINEA1D7T0.71
DTYD-TYROSINEA,B1XA00.71
MTBA,B1SRF0.72
TYBTYROSINALA,B1KDZ0.71
TYBTYROSINALA1Q110.71
TYBTYROSINALA,B2J5B0.71
TYBTYROSINALA,I1GA40.71
TYBTYROSINALA,B,C1NLU0.71
TYBTYROSINALA,B1KE10.71
TYBTYROSINALA,B1H3F0.71
TYBTYROSINALA,B1H3E0.71
NABA,B1SRJ0.7
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)
A,B,C3CMP0.72
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.74
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.74
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid
A,B2ZNP0.74
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE
A1RE80.72
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.82
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.82
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.77
AJH4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-
1,4-diazepan-1-yl}carbonyl)benzoic acid
A,B3EIO0.72
SHASALICYLHYDROXAMIC ACIDX1V0H0.77
SHASALICYLHYDROXAMIC ACIDA2QPK0.77
SHASALICYLHYDROXAMIC ACIDA3FNL0.77
SHASALICYLHYDROXAMIC ACIDA3GCJ0.77
SHASALICYLHYDROXAMIC ACIDA1CK60.77
CS5N'-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-
2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-
5-METHYL-N,N-DIPROPYLISOPHTHALAMIDE
A,B2QK50.7
LJ5N-(3,5-dibromo-4-hydroxyphenyl)benzamideA,B3CN40.71
OFLO-TRIFLUOROMETHYLPHENYL ANTHRANILIC ACIDA1DVZ0.74
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B2BXE0.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID
A,B3D2T0.73
YOF3-FLUOROTYROSINEA,B1XIL0.72
YOF3-FLUOROTYROSINEA,B1XDC0.72
YOF3-FLUOROTYROSINEA1RRX0.72
YOF3-FLUOROTYROSINEA,B3FYG0.72
1615-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID
A,B1NMS0.73
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol
A,B3EKR0.75
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE
A,B1Q0B0.71
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE
A,B1X880.71
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.73
TYCL-TYROSINAMIDEA2BF90.71
TYCL-TYROSINAMIDEA2OCI0.71
5PH5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-
BENZOIC ACID
A1RWV0.7
IFAA,B3FC80.8
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.72
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.7
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.73
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.8
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE
B1GJA0.76
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA,B1BM70.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA1S2C0.74
FLF2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACIDA2PIX0.74
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.72
3B42-(cyclohexylamino)benzoic acidA,B3B4P0.73
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.75
MHBA,B1SRG0.73
3FL3-{[(4-{[(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-
4-yl)methyl]amino}butyl)amino]methyl}benzoic acid
A,B3FCL0.7
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.7
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.72
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.74
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.74
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.71
C1NN-[(BENZYLOXY)CARBONYL]LEUCYL-N~1~-
[3-FLUORO-1-(4-HYDROXYBENZYL)-2-
OXOPROPYL]LEUCINAMIDE
A1ZCM0.7
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE
A,B3FCB0.81
3XH3-Hydroxyhippuric acidA3E9K0.76
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C1L6M0.74
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3CBC0.74
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3BY00.74
VRV6-(5-BROMO-2-HYDROXYPHENYL)-2-OXO-
4-PHENYL-1,2-DIHYDROPYRIDINE-3-
CARBONITRILE
A2OBJ0.71
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.73
ILBA2FPT0.71
MIX1,4-DIHYDROXY-5,8-BIS({2-[(2-HYDROXYETHYL)AMINO]ETHYL}AMINO)-
9,10-ANTHRACENEDIONE
A,B,C,D2FUM0.72
3FTA2BXV0.7
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.7
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.76