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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02375881

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.75
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,B2A3R0.78
LDPL-DOPAMINEA5PAH0.78
LDPL-DOPAMINEA,B2QMZ0.78
LDPL-DOPAMINEA,B2VQ50.78
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.74
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.73
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.82
PCRP-CRESOLA1JHV0.71
PCRP-CRESOLA1JHU0.71
PCRP-CRESOLA,B,C,D1DIQ0.71
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.71
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
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.75
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.77
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,D1Y0G0.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.74
2AC2-AMINO-P-CRESOLH,I1A2C0.71
2AC2-AMINO-P-CRESOLA1L4M0.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.77
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.77
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.77
2MP3,4-DIMETHYLPHENOLA1L5O0.73
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.76
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.86
ALEL-EPINEPHRINEA3PAH0.7
ALEL-EPINEPHRINEA2HKK0.7
TYI3,5-DIIODOTYROSINEA2D8W0.75
TYI3,5-DIIODOTYROSINEE,I1CTP0.75
TYI3,5-DIIODOTYROSINEA2D970.75
TYI3,5-DIIODOTYROSINEA2AXE0.75
TYI3,5-DIIODOTYROSINEA2D8O0.75
TYI3,5-DIIODOTYROSINEA,B2VLW0.75
TYI3,5-DIIODOTYROSINEA,B2C3V0.75
TYI3,5-DIIODOTYROSINEA2D980.75
TYI3,5-DIIODOTYROSINEA2NOO0.75
TYI3,5-DIIODOTYROSINEA2D8P0.75
TYI3,5-DIIODOTYROSINEA,B,C,D,E,F,
G,H
3GH80.75
TYI3,5-DIIODOTYROSINEA,B,C,D1L0S0.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.77
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.77
AEF4-(2-aminoethyl)phenolA3BRA0.81
CRSM-CRESOLA,B,C,D1EV30.7
CRSM-CRESOLA,B,C,D,E,F2OMG0.7
CRSM-CRESOLA,B1UZ90.7
CRSM-CRESOLA,B,C,D1ZEH0.7
CRSM-CRESOLA,B,C,D,E,F1ZEI0.7
CRSM-CRESOLA,C,D,E7INS0.7
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.7
2LP2-ALLYLPHENOLA1OV50.73
TYBTYROSINALA,B1KDZ0.72
TYBTYROSINALA1Q110.72
TYBTYROSINALA,B2J5B0.72
TYBTYROSINALA,I1GA40.72
TYBTYROSINALA,B,C1NLU0.72
TYBTYROSINALA,B1KE10.72
TYBTYROSINALA,B1H3F0.72
TYBTYROSINALA,B1H3E0.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.76
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
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.75
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.75
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.78
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.72
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A1ILH0.72
SRL[2-(3,5-DI-TERT-BUTYL-4-HYDROXY-
PHENYL)-1-(DIETHOXY-PHOSPHORYL)-
VINYL]-PHOSPHONIC ACID DIETHLYL ESTER
A,B1NRL0.72
IYR3-IODO-TYROSINEA2D980.75
IYR3-IODO-TYROSINEA2D8P0.75
IYR3-IODO-TYROSINEA,B3GFD0.75
IYR3-IODO-TYROSINEA2R1Q0.75
IYR3-IODO-TYROSINEA2ZP10.75
IYR3-IODO-TYROSINEA,B,C,D2ZXV0.75
IYR3-IODO-TYROSINEC1CF00.75
IYR3-IODO-TYROSINEA1XXZ0.75
IYR3-IODO-TYROSINEA2D970.75
IYR3-IODO-TYROSINEA1XY90.75
IYR3-IODO-TYROSINEA2Z100.75
IYR3-IODO-TYROSINEA1WQ30.75
IYR3-IODO-TYROSINEA2D8O0.75
IYR3-IODO-TYROSINEA2D8W0.75
IYR3-IODO-TYROSINEA2Z110.75
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.74
LNRL-NOREPINEPHRINEA,B2QEO0.73
LNRL-NOREPINEPHRINEA3DYE0.73
LNRL-NOREPINEPHRINEA4PAH0.73
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.78
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.73
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.76
EYK2-tert-butylbenzene-1,4-diolB3EYK0.76
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.72
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.73
ETY4-ethylphenolA,B,C,D2RA60.73
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
TYCL-TYROSINAMIDEA2BF90.72
TYCL-TYROSINAMIDEA2OCI0.72
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.72
MTYMETA-TYROSINEA2TOH0.71
MTYMETA-TYROSINEA,B1BIQ0.71
MTYMETA-TYROSINEA1Q7O0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.78
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.78
YOF3-FLUOROTYROSINEA,B1XIL0.71
YOF3-FLUOROTYROSINEA,B1XDC0.71
YOF3-FLUOROTYROSINEA1RRX0.71
YOF3-FLUOROTYROSINEA,B3FYG0.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.77
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.77
EPTHEPTANYL-P-PHENOLA,B1AHZ0.76
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.77
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.85