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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03239198

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
MTYMETA-TYROSINEA2TOH0.73
MTYMETA-TYROSINEA,B1BIQ0.73
MTYMETA-TYROSINEA1Q7O0.73
IHB3-IODO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCI0.74
BPYBIPHENYL-2,3-DIOLA1KMY0.7
BPYBIPHENYL-2,3-DIOLB1KW80.7
BPYBIPHENYL-2,3-DIOLA2EI30.7
BPYBIPHENYL-2,3-DIOLA1EIR0.7
BPYBIPHENYL-2,3-DIOLB1KW60.7
BPYBIPHENYL-2,3-DIOLB1KWC0.7
BPYBIPHENYL-2,3-DIOLB1KW90.7
OMD2-(3,6-DIHYDROXYPHENYL)ACETIC ACIDA,B1AJP0.73
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.75
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.75
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.75
LDPL-DOPAMINEA,B2A3R0.77
LDPL-DOPAMINEA5PAH0.77
LDPL-DOPAMINEA,B2QMZ0.77
LDPL-DOPAMINEA,B2VQ50.77
3XH3-Hydroxyhippuric acidA3E9K0.74
FLVFLAVIOLINA1ZDW0.71
FLVFLAVIOLINA1T930.71
FLVFLAVIOLINA2D090.71
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol
A,B3EKR0.7
BJH1(R)-1-ACETAMIDO-2-(3-CARBOXY-2-
HYDROXYPHENYL)ETHYL BORONIC ACID
A1ERQ0.73
E201-BENZYL-4-[(5,6-DIMETHOXY-1-INDANON-
2-YL)METHYL]PIPERIDINE
A1EVE0.73
ALEL-EPINEPHRINEA3PAH0.73
ALEL-EPINEPHRINEA2HKK0.73
HBAP-HYDROXYBENZALDEHYDEA1K030.75
HBAP-HYDROXYBENZALDEHYDEA,B2VQ50.75
HBAP-HYDROXYBENZALDEHYDEA,B1EB90.75
HBAP-HYDROXYBENZALDEHYDEA2GQ90.75
HBAP-HYDROXYBENZALDEHYDEA,B1Z420.75
HBAP-HYDROXYBENZALDEHYDEA1OYB0.75
PHBP-HYDROXYBENZOIC ACIDA1CJ40.76
PHBP-HYDROXYBENZOIC ACIDA1DOB0.76
PHBP-HYDROXYBENZOIC ACIDA1PXB0.76
PHBP-HYDROXYBENZOIC ACIDA,B1G1B0.76
PHBP-HYDROXYBENZOIC ACIDA,B1YKJ0.76
PHBP-HYDROXYBENZOIC ACIDA1IUV0.76
PHBP-HYDROXYBENZOIC ACIDA1PBE0.76
PHBP-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCC0.76
PHBP-HYDROXYBENZOIC ACIDA1PDH0.76
PHBP-HYDROXYBENZOIC ACIDB2BUW0.76
PHBP-HYDROXYBENZOIC ACIDA1CC40.76
PHBP-HYDROXYBENZOIC ACIDA1CC60.76
PHBP-HYDROXYBENZOIC ACIDA1IUW0.76
PHBP-HYDROXYBENZOIC ACIDA1FW90.76
PHBP-HYDROXYBENZOIC ACIDA1G810.76
PHBP-HYDROXYBENZOIC ACIDA1BGJ0.76
PHBP-HYDROXYBENZOIC ACIDA1IUX0.76
PHBP-HYDROXYBENZOIC ACIDA1CJ30.76
PHBP-HYDROXYBENZOIC ACIDA1D7L0.76
PHBP-HYDROXYBENZOIC ACIDA2PHH0.76
PHBP-HYDROXYBENZOIC ACIDA1BGN0.76
PHBP-HYDROXYBENZOIC ACIDA1PXA0.76
PHBP-HYDROXYBENZOIC ACIDA1DOC0.76
PHBP-HYDROXYBENZOIC ACIDA1K0I0.76
PHBP-HYDROXYBENZOIC ACIDA1BKW0.76
PHBP-HYDROXYBENZOIC ACIDA1JD30.76
PHBP-HYDROXYBENZOIC ACIDA1PXC0.76
PHBP-HYDROXYBENZOIC ACIDA1TT80.76
PHBP-HYDROXYBENZOIC ACIDA1CJ20.76
PHBP-HYDROXYBENZOIC ACIDA,B1Q4S0.76
PHBP-HYDROXYBENZOIC ACIDA1BF30.76
PHBP-HYDROXYBENZOIC ACIDB2BUR0.76
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDH,I1A2C0.73
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C1CA70.73
ENO3-(4-HYDROXY-PHENYL)PYRUVIC ACIDA,B,C,D3GGO0.73
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.76
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERB,C,D2VK00.74
MPB4-HYDROXY-BENZOIC ACID METHYL ESTERA,B,D3MTH0.74
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.71
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.74
4HP4-HYDROXYPHENYLACETATEA2YYJ0.74
4HP4-HYDROXYPHENYLACETATEA2YYM0.74
4HP4-HYDROXYPHENYLACETATEB1AI60.74
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.74
DB12,3-DIHYDROXYBENZAMIDEA,B,C1X710.78
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3CMP0.76
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MD90.76
DBH2,3-DIHYDROXY-BENZOIC ACIDA1MDB0.76
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C1L6M0.76
DBH2,3-DIHYDROXY-BENZOIC ACIDA,B,C3BY00.76
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.72
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.72
MBD3-METHYLCATECHOLA1KNF0.72
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.72
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.75
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.73
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.73
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.77
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.77
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.77
FHB3-FLUORO-4-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCF0.74
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.76
DBEbis(4-hydroxyphenyl)methanoneA2VKU0.8
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOD0.7
DOB2,4-DIHYDROXYBENZOIC ACIDA1DOE0.7
DOB2,4-DIHYDROXYBENZOIC ACIDA1PBB0.7
4BA4-[(2-CARBOXY-ETHYLAMINO)-METHYL]-
BENZOIC ACID
C1FAV0.7
DHCCAFFEIC ACIDA,B,C,D,E,F,
G,H
2O7D0.75
DHCCAFFEIC ACIDA1KOU0.75
142CARBIDOPAA,B1JS30.72
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
23A2,3-DIHYDROXYBENZALDEHYDEA,B,C,D2DVX0.78
MN71-CARBOXY-4-ISOBUTYLAMINOMETHYLBENZENEN1NLO0.7
D3P(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
D3P(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
TY33-HYDROXY-L-TYROSINEA,B2VH30.77
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
34D3,5-DIHYDROXYBENZOATEA,B2BX70.71
V554-hydroxy-3-methoxybenzaldehydeB,D,E,F2VSS0.78
V554-hydroxy-3-methoxybenzaldehydeA,B,D,E,F2VSU0.78
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C1L6M0.72
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3CBC0.72
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3BY00.72
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.74
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.74
1BA4-HYDROXY-N'-(4-ISOPROPYLBENZYL)BENZOHYDRAZIDEA2GPP0.71
VXXVANILLATEA,B1WB60.76
TYCL-TYROSINAMIDEA2BF90.73
TYCL-TYROSINAMIDEA2OCI0.73
3HB3-HYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCB0.76
3HB3-HYDROXYBENZOIC ACIDA2DKH0.76
DHB3,4-DIHYDROXYBENZOIC ACIDB2BV00.81
DHB3,4-DIHYDROXYBENZOIC ACIDA,B,D,F,H,J,L1YKP0.81
DHB3,4-DIHYDROXYBENZOIC ACIDA1N8Q0.81
DHB3,4-DIHYDROXYBENZOIC ACIDA,B2BSL0.81
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKL0.81
DHB3,4-DIHYDROXYBENZOIC ACIDB,D1B4U0.81
DHB3,4-DIHYDROXYBENZOIC ACIDA3DX50.81
DHB3,4-DIHYDROXYBENZOIC ACIDM,N,O,P,Q,R3PCA0.81
DHB3,4-DIHYDROXYBENZOIC ACIDB,D,F,H,J,L1YKN0.81
DHB3,4-DIHYDROXYBENZOIC ACIDB1EOB0.81
DHB3,4-DIHYDROXYBENZOIC ACIDA1PHH0.81
DHB3,4-DIHYDROXYBENZOIC ACIDB2BUV0.81
SAL2-HYDROXYBENZOIC ACIDA2I2Z0.71
SAL2-HYDROXYBENZOIC ACIDA,B,C1FIQ0.71
SAL2-HYDROXYBENZOIC ACIDA2I300.71
SAL2-HYDROXYBENZOIC ACIDA,B1PTH0.71
SAL2-HYDROXYBENZOIC ACIDA,B3DEU0.71
SAL2-HYDROXYBENZOIC ACIDA,B,C,D2E1Q0.71
SAL2-HYDROXYBENZOIC ACIDA,B3HGX0.71
SAL2-HYDROXYBENZOIC ACIDA,B3BPX0.71
SAL2-HYDROXYBENZOIC ACIDA1WYG0.71
SAL2-HYDROXYBENZOIC ACIDA1JGS0.71
SAL2-HYDROXYBENZOIC ACIDX1M6E0.71
SAL2-HYDROXYBENZOIC ACIDA3B9M0.71
SAL2-HYDROXYBENZOIC ACIDA,B1FO40.71
SAL2-HYDROXYBENZOIC ACIDA,B1Y7I0.71
SAL2-HYDROXYBENZOIC ACIDA,B2FN10.71
LOBLOBELINEA,B,C,D,E,F,
G,H,I,J
2BYS0.73
HCC2',4,4'-TRIHYDROXYCHALCONED1FP10.73
HHH(2S)-hydroxy(4-hydroxyphenyl)ethanoic acidA,B2R5V0.7
AC6P-HYDROXYACETOPHENONEA2GQ80.82
AC6P-HYDROXYACETOPHENONEX2O480.82
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.72
SDT3,4-dihydroxy-9,10-secoandrosta-
1(10),2,4-triene-9,17-dione
A,B2ZI80.71
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RH40.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B3CSD0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHR0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA1F0Q0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3C130.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA,B2RHC0.7
EMO3-METHYL-1,6,8-TRIHYDROXYANTHRAQUINONEA3BQC0.7
IM3(2E)-3-(3,4-DIHYDROXYPHENYL)-2-
IMINOPROPANOIC ACID
A,B,C,D2E820.74
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.7
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.76
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.76
LNRL-NOREPINEPHRINEA,B2QEO0.72
LNRL-NOREPINEPHRINEA3DYE0.72
LNRL-NOREPINEPHRINEA4PAH0.72
3HP3-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCE0.75
7893-BROMO-6-HYDROXY-2-(4-HYDROXYPHENYL)-
1H-INDEN-1-ONE
A,B1ZAF0.73
BJI1(R)-1-ACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACIDA1ERM0.7
BIE(3,4-DIHYDROXY-2-NITROPHENYL)(PHENYL)METHANONEA,B2CL50.71
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDM,N,O,P,Q,R3PCN0.79
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDB1AI40.79
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D1Q0C0.79
DHY2-(3,4-DIHYDROXYPHENYL)ACETIC ACIDA,B1F1V0.79
TYBTYROSINALA,B1KDZ0.73
TYBTYROSINALA1Q110.73
TYBTYROSINALA,B2J5B0.73
TYBTYROSINALA,I1GA40.73
TYBTYROSINALA,B,C1NLU0.73
TYBTYROSINALA,B1KE10.73
TYBTYROSINALA,B1H3F0.73
TYBTYROSINALA,B1H3E0.73
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.71
YOF3-FLUOROTYROSINEA,B1XIL0.71
YOF3-FLUOROTYROSINEA,B1XDC0.71
YOF3-FLUOROTYROSINEA1RRX0.71
YOF3-FLUOROTYROSINEA,B3FYG0.71
MCT4-METHYLCATECHOLA1L4G0.73
MCT4-METHYLCATECHOLA2EHZ0.73
MCT4-METHYLCATECHOLA,B1DMH0.73
ANN4-METHOXYBENZOIC ACIDA2B960.71
ANN4-METHOXYBENZOIC ACIDA2QUE0.71
ANN4-METHOXYBENZOIC ACIDA1SV30.71
ANN4-METHOXYBENZOIC ACIDA1O2E0.71
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.71
SHASALICYLHYDROXAMIC ACIDX1V0H0.71
SHASALICYLHYDROXAMIC ACIDA2QPK0.71
SHASALICYLHYDROXAMIC ACIDA3FNL0.71
SHASALICYLHYDROXAMIC ACIDA3GCJ0.71
SHASALICYLHYDROXAMIC ACIDA1CK60.71
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.7
SYRSYRINGATEA,B1WB50.73
DTYD-TYROSINEA1C4B0.73
DTYD-TYROSINEA,L1ZEA0.73
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.73
DTYD-TYROSINEA,B1UNO0.73
DTYD-TYROSINEA2IGZ0.73
DTYD-TYROSINEA,B,C,H,K,L2R5D0.73
DTYD-TYROSINEA,B2Q330.73
DTYD-TYROSINEH,S2H9E0.73
DTYD-TYROSINEA,B,C,H,K,L2R5B0.73
DTYD-TYROSINEA2IH00.73
DTYD-TYROSINEA1D7T0.73
DTYD-TYROSINEA,B1XA00.73
JUG5-hydroxynaphthalene-1,4-dioneA,B,C,D,E,F3B7J0.74
G503-(4-HYDROXYPHENYL)-1-(2,4,6-TRIHYDROXYPHENYL)PROPAN-
1-ONE
A,B2UXI0.72
ECAN,N',N''-[BENZENE-1,3,5-TRIYLTRIS(METHYLENE)]TRIS(2,3-
DIHYDROXYBENZAMIDE)
A,B2CHU0.71