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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00853977

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.74
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C1L6M0.79
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C3CBC0.79
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C3BY00.79
DK22-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-
1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID		A,B2PU20.73
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.73
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID		A,B2BXE0.7
1FL5-(2,4-DIFLUOROPHENYL)-2-HYDROXY-
BENZOIC ACID		A,B3D2T0.7
SHASALICYLHYDROXAMIC ACIDX1V0H0.84
SHASALICYLHYDROXAMIC ACIDA2QPK0.84
SHASALICYLHYDROXAMIC ACIDA3FNL0.84
SHASALICYLHYDROXAMIC ACIDA3GCJ0.84
SHASALICYLHYDROXAMIC ACIDA1CK60.84
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE		A2EW60.72
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.71
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.71
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid		A,B2QVE0.71
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.72
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.7
3HB3-HYDROXYBENZOIC ACIDA2DKH0.7
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.73
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE		A,B2FME0.71
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.82
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.81
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.81
3MB3-METHOXYBENZAMIDEA3PAX0.71
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.75
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE		A,B2UXI0.71
VBP4-({3-[(2R)-2-amino-2-carboxyethyl]-
2,6-dioxo-3,6-dihydropyrimidin-
1(2H)-yl}methyl)benzoic acid		B,E,G,H,J,L,
N,P		3H060.7
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.75
1615-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID		A,B1NMS0.73
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.75
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.75
SAL2-HYDROXYBENZOIC ACIDA2I300.75
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.75
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.75
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.75
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.75
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.75
SAL2-HYDROXYBENZOIC ACIDA1WYG0.75
SAL2-HYDROXYBENZOIC ACIDA1JGS0.75
SAL2-HYDROXYBENZOIC ACIDX1M6E0.75
SAL2-HYDROXYBENZOIC ACIDA3B9M0.75
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.75
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.75
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.75
HABA,B1SRE0.72
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.76
AJH4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-
1,4-diazepan-1-yl}carbonyl)benzoic acid		A,B3EIO0.7
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.73
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.73
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.79
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.7
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.7
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.7
MHBA,B1SRG0.71
TYPCYCLO-(L-TYROSINE-L-PROLINE) INHIBITORA,B1W1Y0.74
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)		A,B,C3CMP0.74
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.8
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.73
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H		2G0B0.72
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE		A1REJ0.7
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.74
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA,B3B560.71
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA2BXL0.71
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.72
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE		C,O2V120.71
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE		A,B3FCB0.8
TYCL-TYROSINAMIDEA2BF90.73
TYCL-TYROSINAMIDEA2OCI0.73
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.74
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J		2BYS0.73
DTYD-TYROSINEA1C4B0.7
DTYD-TYROSINEA,L1ZEA0.7
DTYD-TYROSINEA,B,C,D,E,F,
G,H		1OF60.7
DTYD-TYROSINEA,B1UNO0.7
DTYD-TYROSINEA2IGZ0.7
DTYD-TYROSINEA,B,C,H,K,L2R5D0.7
DTYD-TYROSINEA,B2Q330.7
DTYD-TYROSINEH,S2H9E0.7
DTYD-TYROSINEA,B,C,H,K,L2R5B0.7
DTYD-TYROSINEA2IH00.7
DTYD-TYROSINEA1D7T0.7
DTYD-TYROSINEA,B1XA00.7
IFAA,B3FC80.78
TYBTYROSINALA,B1KDZ0.7
TYBTYROSINALA1Q110.7
TYBTYROSINALA,B2J5B0.7
TYBTYROSINALA,I1GA40.7
TYBTYROSINALA,B,C1NLU0.7
TYBTYROSINALA,B1KE10.7
TYBTYROSINALA,B1H3F0.7
TYBTYROSINALA,B1H3E0.7
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid		A,B2ZNP0.71
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE		A2V130.72
3XH3-Hydroxyhippuric acidA3E9K0.81
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
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID		G4GCH0.72
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.73
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol		A,B3EKR0.82
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)		A,B2CHU0.79
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE		A,B2IEH0.71
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.73
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.73
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.73
HBZN-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-
beta-D-glucopyranosylamine		A2QN70.71
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE		A1RE80.71
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid		A,B2ZNQ0.73
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione		A3G5H0.74
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID		A1ERQ0.81
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.71
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.71