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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02629353

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.7
TTS3-((3E)-4-HYDROXY-3-{[2-(4-HYDROXYPHENYL)ETHYL]IMINO}-
6-OXOCYCLOHEXA-1,4-DIEN-1-YL)ALANINE
A,B2D1W0.72
4HP4-HYDROXYPHENYLACETATEA,B,C,D2JBT0.7
4HP4-HYDROXYPHENYLACETATEA2YYJ0.7
4HP4-HYDROXYPHENYLACETATEA2YYM0.7
4HP4-HYDROXYPHENYLACETATEB1AI60.7
4HP4-HYDROXYPHENYLACETATEM,N,O,P,Q,R3PCG0.7
HC4A1TS60.7
HC4A3PHY0.7
HC4A3PYP0.7
HC4A1T1C0.7
HC4A1OT60.7
HC4A1TS00.7
HC4A1T1A0.7
HC4A2PYP0.7
HC4A2ZOI0.7
HC4A1OTI0.7
HC4A1XFQ0.7
HC4A2D010.7
HC4A,B,C,D,E,F,
G,H
2O7B0.7
HC4A2ZOH0.7
HC4A1GSW0.7
HC4A2QJ70.7
HC4A1F9I0.7
HC4X1UWP0.7
HC4A2PHY0.7
HC4A1T1B0.7
HC4A1F980.7
HC4A1T190.7
HC4X1UWN0.7
HC4A,B,C,D,E,F,
G,H
2O7F0.7
HC4A1UGU0.7
HC4A1TS80.7
HC4A,B1OTD0.7
HC4A1OTE0.7
HC4A1GSX0.7
HC4A1TS70.7
HC4A2PYR0.7
HC4A1S4S0.7
HC4A1GSV0.7
HC4A2I9V0.7
HC4A2QWS0.7
HC4A1XFN0.7
HC4A1S4R0.7
HC4A1T180.7
HC4A1OTA0.7
HC4A1D7E0.7
HC4A1S1Z0.7
HC4A,B,C1MZU0.7
HC4A,B1ODV0.7
HC4A,B2J3J0.7
HC4A2QJ50.7
HC4A1OTB0.7
HC4A2D020.7
HC4A1OT90.7
HC4A1NWZ0.7
HC4A1S1Y0.7
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.71
SAG(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]A,B2V5Z0.72
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.72
RNP(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-
NAPHTHYLOXY)PROPAN-2-OL
X1H460.7
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.71
3A3A2CGU0.71
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.72
HDI3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-
5-ISOXAZOLE-ACETIC ACID METHYL ESTER
A,B,C1LJT0.76
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.81
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.75
DESDIETHYLSTILBESTROLA,B3ERD0.75
DESDIETHYLSTILBESTROLA,B1TT60.75
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.75
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.72
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.75
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
OHT4-HYDROXYTAMOXIFENA3ERT0.76
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.76
OHT4-HYDROXYTAMOXIFENA,B1VJB0.76
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.76
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.76
OHT4-HYDROXYTAMOXIFENA2GPU0.76
OHT4-HYDROXYTAMOXIFENA2P7Z0.76
OHT4-HYDROXYTAMOXIFENA,B2BJ40.76
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.76
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.73
OHP(2-HYDROXYPHENYL)ACETIC ACIDA2INZ0.7
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.71
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.71
CUS(N-SALICYLIDEN-L-LEUCINATO)-COPPER(II)A2EB90.73
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.72
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.77
2HC(2E)-3-(2-HYDROXYPHENYL)ACRYLIC ACIDA,B1V5Z0.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.71
TYBTYROSINALA,B1KDZ0.7
TYBTYROSINALA1Q110.7
TYBTYROSINALA,B2J5B0.7
TYBTYROSINALA,I1GA40.7
TYBTYROSINALA,B,C1NLU0.7
TYBTYROSINALA,B1KE10.7
TYBTYROSINALA,B1H3F0.7
TYBTYROSINALA,B1H3E0.7
HPPHYDROXYPHENYL PROPIONIC ACIDA,B2TPL0.71
HPPHYDROXYPHENYL PROPIONIC ACIDA,B,C,D3GGP0.71
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.7
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.71
2PMN-[2-(BENZHYDRYLOXY)ETHYL]-N,N-
DIMETHYLAMINE
A,B2AOT0.71
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.75
MTYMETA-TYROSINEA2TOH0.71
MTYMETA-TYROSINEA,B1BIQ0.71
MTYMETA-TYROSINEA1Q7O0.71
2LP2-ALLYLPHENOLA1OV50.7
OACTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATEC3GCH0.71
YOF3-FLUOROTYROSINEA,B1XIL0.71
YOF3-FLUOROTYROSINEA,B1XDC0.71
YOF3-FLUOROTYROSINEA1RRX0.71
YOF3-FLUOROTYROSINEA,B3FYG0.71
ECOESTRADIOL-6 CARBOXYL-METHYL-OXIMEB,D,F,H1JNH0.73
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
2E3(2E)-3-[4-hydroxy-3-(3,5,5,8,8-
pentamethyl-5,6,7,8-tetrahydronaphthalen-
2-yl)phenyl]prop-2-enoic acid
A3FUG0.72
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.71
CUP(N-SALICYLIDEN-L-PHENYLALANATO)-
COPPER(II)
A2EB80.73
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.72
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.76
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
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