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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02292219

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
S2DN-BENZOYL-D-ALANINEA,B2JCI0.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.73
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.73
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.73
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.71
K55(2S)-2-{4-butoxy-3-[({[2-fluoro-
4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]benzyl}butanoic acid		A,B2ZNP0.72
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA,B3B560.7
DIU2-HYDROXY-3,5-DIIODO-BENZOIC ACIDA2BXL0.7
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.75
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE		A2EW60.72
DK22-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-
1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID		A,B2PU20.74
ARYARYLOMYCIN A2A,B1T7D0.73
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE		A,B2IEH0.74
0E4N-acetyl-L-tyrosyl-L-valyl-L-alanyl-
L-aspartic acid		B,D3GJS0.72
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H		2G0B0.76
DMBA,B1SRI0.7
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.83
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID		C1FAV0.75
BJP(1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERO0.72
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID		A,B2AH80.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID		A,B,C,D1HCJ0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID		A,B,C,D1W7S0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID		A,B,C,D1W7T0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID		A,B2AHA0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID		A1EME0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID		A,B1KP50.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID		A1EMM0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID		A1EML0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID		A,B,C,D1W7U0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID		A,B,C,D1EMC0.71
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID		A2HPW0.71
EB4N,N',N''-[(3S,7S,11S)-2,6,10-trioxo-
1,5,9-trioxacyclododecane-3,7,11-
triyl]tris(2,3-dihydroxybenzamide)		A,B,C3CMP0.75
5PH5-[5-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
5-PHENYL-PENTYLSULFAMOYL]-2-HYDROXY-
BENZOIC ACID		A1RWV0.72
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.83
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.83
IFBN-[(2',4'-DIFLUORO-4-HYDROXY-5-
IODOBIPHENYL-3-YL)CARBONYL]-BETA-
ALANINE		A,B3FCB0.78
BD23-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-(2-HYDROXYBENZOYL)BENZOATE		A1RE80.72
C39N-[(2S,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-7-METHYL-2-(1-METHYLETHYL)-
8-OXOOCTYL]-2-(3-METHOXYPROPOXY)BENZAMIDE		C,O2V120.75
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.74
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.74
SAL2-HYDROXYBENZOIC ACIDA2I300.74
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.74
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.74
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.74
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.74
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.74
SAL2-HYDROXYBENZOIC ACIDA1WYG0.74
SAL2-HYDROXYBENZOIC ACIDA1JGS0.74
SAL2-HYDROXYBENZOIC ACIDX1M6E0.74
SAL2-HYDROXYBENZOIC ACIDA3B9M0.74
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.74
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.74
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.74
AJH4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-
1,4-diazepan-1-yl}carbonyl)benzoic acid		A,B3EIO0.72
135N-(4-CARBAMIMIDOYL-PHENYL)-2-HYDROXY-
BENZAMIDE		B1GJA0.75
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM		A,B2C640.7
SP9N-{(1R)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNT0.71
SD2N-(SULFANYLACETYL)TYROSYLPROLYLMETHIONINAMIDEA,B1PWQ0.71
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.73
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.75
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.75
TYPCYCLO-(L-TYROSINE-L-PROLINE) INHIBITORA,B1W1Y0.74
IYGN-ALPHA-ACETYL-3,5-DIIODOTYROSYLGLYCINEA1OPM0.72
GRE2,6-DIHYDROXYBENZOIC ACIDA,B,C,D2DVU0.7
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol		A,B3EKR0.85
C40N-[(2R,4S,5S,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL]-
2-(3-METHOXYPROPOXY)BENZAMIDE		A2V130.76
IYR3-IODO-TYROSINEA2D980.71
IYR3-IODO-TYROSINEA2D8P0.71
IYR3-IODO-TYROSINEA,B3GFD0.71
IYR3-IODO-TYROSINEA2R1Q0.71
IYR3-IODO-TYROSINEA2ZP10.71
IYR3-IODO-TYROSINEA,B,C,D2ZXV0.71
IYR3-IODO-TYROSINEC1CF00.71
IYR3-IODO-TYROSINEA1XXZ0.71
IYR3-IODO-TYROSINEA2D970.71
IYR3-IODO-TYROSINEA1XY90.71
IYR3-IODO-TYROSINEA2Z100.71
IYR3-IODO-TYROSINEA1WQ30.71
IYR3-IODO-TYROSINEA2D8O0.71
IYR3-IODO-TYROSINEA2D8W0.71
IYR3-IODO-TYROSINEA2Z110.71
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C1L6M0.8
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C3CBC0.8
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID		A,B,C3BY00.8
AC6P-HYDROXYACETOPHENONEA2GQ80.72
AC6P-HYDROXYACETOPHENONEX2O480.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.72
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.72
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.7
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J		2BYS0.74
3XH3-Hydroxyhippuric acidA3E9K0.8
3MB3-METHOXYBENZAMIDEA3PAX0.72
TYBTYROSINALA,B1KDZ0.72
TYBTYROSINALA1Q110.72
TYBTYROSINALA,B2J5B0.72
TYBTYROSINALA,I1GA40.72
TYBTYROSINALA,B,C1NLU0.72
TYBTYROSINALA,B1KE10.72
TYBTYROSINALA,B1H3F0.72
TYBTYROSINALA,B1H3E0.72
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.8
ZYABENZOYL-TYROSINE-ALANINE-METHYL KETONEA1AIM0.71
SHASALICYLHYDROXAMIC ACIDX1V0H0.83
SHASALICYLHYDROXAMIC ACIDA2QPK0.83
SHASALICYLHYDROXAMIC ACIDA3FNL0.83
SHASALICYLHYDROXAMIC ACIDA3GCJ0.83
SHASALICYLHYDROXAMIC ACIDA1CK60.83
DTYD-TYROSINEA1C4B0.72
DTYD-TYROSINEA,L1ZEA0.72
DTYD-TYROSINEA,B,C,D,E,F,
G,H		1OF60.72
DTYD-TYROSINEA,B1UNO0.72
DTYD-TYROSINEA2IGZ0.72
DTYD-TYROSINEA,B,C,H,K,L2R5D0.72
DTYD-TYROSINEA,B2Q330.72
DTYD-TYROSINEH,S2H9E0.72
DTYD-TYROSINEA,B,C,H,K,L2R5B0.72
DTYD-TYROSINEA2IH00.72
DTYD-TYROSINEA1D7T0.72
DTYD-TYROSINEA,B1XA00.72
L013-[({(1S,2R)-1-BENZYL-2-HYDROXY-
3-[(3-METHOXYBENZYL)AMINO]PROPYL}AMINO)(HYDROXY)METHYL]-
N,N-DIPROPYLBENZAMIDE		A1W510.71
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID		A1ERQ0.82
IFAA,B3FC80.77
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.75
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID		G4GCH0.75
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.7
SP8N-{(1S)-3-[(4-aminobutyl)amino]-
1-methylpropyl}benzamide		A,B3CNS0.71
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE		A1REJ0.72
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA1NY00.72
NBF[(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACIDA,B1YMS0.72
1615-[4-(1-CARBOXYMETHYL-2-OXO-PROPYLCARBAMOYL)-
BENZYLSULFAMOYL]-2-HYDROXY-BENZOIC ACID		A,B1NMS0.76
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.73
IYTN-ALPHA-ACETYL-3,5-DIIODOTYROSYL-
D-THREONINE		A1SDW0.71
TYCL-TYROSINAMIDEA2BF90.75
TYCL-TYROSINAMIDEA2OCI0.75
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE		A,B1X6W0.7
K573-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL-BUTYRYL]-
5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID TERT-
BUTYLAMIDE		B1MRX0.71
K573-[2-HYDROXY-3-(3-HYDROXY-2-METHYL-
BENZOYLAMINO)-4-PHENYL-BUTYRYL]-
5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID TERT-
BUTYLAMIDE		A1MRW0.71
MHBA,B1SRG0.72
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid		A,B2QVE0.73
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		3H060.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.78
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.77
MTYMETA-TYROSINEA2TOH0.71
MTYMETA-TYROSINEA,B1BIQ0.71
MTYMETA-TYROSINEA1Q7O0.71
401(2S)-2-{3-[({[2-fluoro-4-(trifluoromethyl)phenyl]carbonyl}amino)methyl]-
4-methoxybenzyl}butanoic acid		A,B2ZNQ0.74
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)		A,B2CHU0.79
HABA,B1SRE0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.77
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.77
YOF3-FLUOROTYROSINEA,B1XIL0.71
YOF3-FLUOROTYROSINEA,B1XDC0.71
YOF3-FLUOROTYROSINEA1RRX0.71
YOF3-FLUOROTYROSINEA,B3FYG0.71
687N-ACETYL-N-[1-(1,1'-BIPHENYL-4-
YLMETHYL)-2-OXOAZEPAN-3-YL]-3-FORMYL-
O-PHOSPHONOTYROSINAMIDE		A1O450.73
CJO[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-
4-(4-hydroxybenzyl)-5-oxoimidazolidin-
1-yl]acetic acid		A2QT20.71
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione		A3G5H0.74
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.75
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.75
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.75
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.7
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.76
CZO[(2R,4S)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-
2-hydroxy-4-(4-hydroxybenzyl)-5-
oxoimidazolidin-1-yl]acetic acid		A2QRF0.7