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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00761238

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.75
EYK2-tert-butylbenzene-1,4-diolB3EYK0.75
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.7
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.7
PTMALPHA-METHYL-O-PHOSPHOTYROSINEH,L1JYQ0.72
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.7
YOF3-FLUOROTYROSINEA,B1XIL0.74
YOF3-FLUOROTYROSINEA,B1XDC0.74
YOF3-FLUOROTYROSINEA1RRX0.74
YOF3-FLUOROTYROSINEA,B3FYG0.74
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.74
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.83
CRSM-CRESOLA,B,C,D1EV30.73
CRSM-CRESOLA,B,C,D,E,F2OMG0.73
CRSM-CRESOLA,B1UZ90.73
CRSM-CRESOLA,B,C,D1ZEH0.73
CRSM-CRESOLA,B,C,D,E,F1ZEI0.73
CRSM-CRESOLA,C,D,E7INS0.73
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.85
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.73
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
DHR(2S)-HYDROXY(4-HYDROXYPHENYL)ETHANENITRILEA,B1E550.7
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.8
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,D1Y0G0.75
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.77
2AC2-AMINO-P-CRESOLH,I1A2C0.76
2AC2-AMINO-P-CRESOLA1L4M0.76
SCLACETIC ACID SALICYLOYL-AMINO-ESTERA1EBV0.71
HBD4-HYDROXYBENZAMIDEB,C,D1BEN0.71
LDPL-DOPAMINEA,B2A3R0.75
LDPL-DOPAMINEA5PAH0.75
LDPL-DOPAMINEA,B2QMZ0.75
LDPL-DOPAMINEA,B2VQ50.75
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.72
R129-(4-HYDROXY-2,6-DIMETHYL-PHENYL)-
3,7-DIMETHYL-NONA-4,6,8-TRIENOIC ACID
A3CBS0.7
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.82
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.74
DESDIETHYLSTILBESTROLA,B3ERD0.74
DESDIETHYLSTILBESTROLA,B1TT60.74
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.74
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.76
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.71
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.74
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.77
EPTHEPTANYL-P-PHENOLA,B1AHZ0.78
1NP1-NAPHTHOLX2ZVQ0.71
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
AEF4-(2-aminoethyl)phenolA3BRA0.81
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E0Y0.77
FCRALPHA,ALPHA,ALPHA-TRIFLUORO-P-CRESOLA,B1E8G0.77
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
BPYBIPHENYL-2,3-DIOLA1KMY0.71
BPYBIPHENYL-2,3-DIOLB1KW80.71
BPYBIPHENYL-2,3-DIOLA2EI30.71
BPYBIPHENYL-2,3-DIOLA1EIR0.71
BPYBIPHENYL-2,3-DIOLB1KW60.71
BPYBIPHENYL-2,3-DIOLB1KWC0.71
BPYBIPHENYL-2,3-DIOLB1KW90.71
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.75
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.77
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.73
ETY4-ethylphenolA,B,C,D2RA60.77
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.74
TYCL-TYROSINAMIDEA2BF90.73
TYCL-TYROSINAMIDEA2OCI0.73
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.73
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.79
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
2MP3,4-DIMETHYLPHENOLA1L5O0.76
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.78
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.73
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.76
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.76
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
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.78
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.78
BHQ2,5-DITERT-BUTYLBENZENE-1,4-DIOLA,B2AGV0.72
MBD3-METHYLCATECHOLA1KNF0.71
TYBTYROSINALA,B1KDZ0.73
TYBTYROSINALA1Q110.73
TYBTYROSINALA,B2J5B0.73
TYBTYROSINALA,I1GA40.73
TYBTYROSINALA,B,C1NLU0.73
TYBTYROSINALA,B1KE10.73
TYBTYROSINALA,B1H3F0.73
TYBTYROSINALA,B1H3E0.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.76
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.76
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.76
LNRL-NOREPINEPHRINEA,B2QEO0.7
LNRL-NOREPINEPHRINEA3DYE0.7
LNRL-NOREPINEPHRINEA4PAH0.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
SHASALICYLHYDROXAMIC ACIDX1V0H0.71
SHASALICYLHYDROXAMIC ACIDA2QPK0.71
SHASALICYLHYDROXAMIC ACIDA3FNL0.71
SHASALICYLHYDROXAMIC ACIDA3GCJ0.71
SHASALICYLHYDROXAMIC ACIDA1CK60.71
2LP2-ALLYLPHENOLA1OV50.77
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
PCRP-CRESOLA1JHV0.75
PCRP-CRESOLA1JHU0.75
PCRP-CRESOLA,B,C,D1DIQ0.75