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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02477170

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
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.75
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.75
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.74
REN(S)-reticulineA3FWA0.72
REN(S)-reticulineA3D2D0.72
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.71
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.7
DESDIETHYLSTILBESTROLA,B3ERD0.7
DESDIETHYLSTILBESTROLA,B1TT60.7
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.7
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.7
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
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
MTYMETA-TYROSINEA2TOH0.75
MTYMETA-TYROSINEA,B1BIQ0.75
MTYMETA-TYROSINEA1Q7O0.75
LDPL-DOPAMINEA,B2A3R0.78
LDPL-DOPAMINEA5PAH0.78
LDPL-DOPAMINEA,B2QMZ0.78
LDPL-DOPAMINEA,B2VQ50.78
ALEL-EPINEPHRINEA3PAH0.75
ALEL-EPINEPHRINEA2HKK0.75
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.74
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.83
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.75
AEF4-(2-aminoethyl)phenolA3BRA0.8
TYI3,5-DIIODOTYROSINEA2D8W0.7
TYI3,5-DIIODOTYROSINEE,I1CTP0.7
TYI3,5-DIIODOTYROSINEA2D970.7
TYI3,5-DIIODOTYROSINEA2AXE0.7
TYI3,5-DIIODOTYROSINEA2D8O0.7
TYI3,5-DIIODOTYROSINEA,B2VLW0.7
TYI3,5-DIIODOTYROSINEA,B2C3V0.7
TYI3,5-DIIODOTYROSINEA2D980.7
TYI3,5-DIIODOTYROSINEA2NOO0.7
TYI3,5-DIIODOTYROSINEA2D8P0.7
TYI3,5-DIIODOTYROSINEA,B,C,D,E,F,
G,H
3GH80.7
TYI3,5-DIIODOTYROSINEA,B,C,D1L0S0.7
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.79
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.81
TY33-HYDROXY-L-TYROSINEA,B2VH30.71
ANFANTHRONEH2BJM0.72
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.71
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
D3P(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.72
D3P(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.72
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.88
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.88
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.71
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.7
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol
A3FW90.71
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.74
2AC2-AMINO-P-CRESOLH,I1A2C0.71
2AC2-AMINO-P-CRESOLA1L4M0.71
2LP2-ALLYLPHENOLA1OV50.71
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.73
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.73
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.71
099(2R)-N~4~-hydroxy-2-(3-hydroxybenzyl)-
N~1~-[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]butanediamide
A,B3HYG0.72
YOF3-FLUOROTYROSINEA,B1XIL0.72
YOF3-FLUOROTYROSINEA,B1XDC0.72
YOF3-FLUOROTYROSINEA1RRX0.72
YOF3-FLUOROTYROSINEA,B3FYG0.72
2MP3,4-DIMETHYLPHENOLA1L5O0.73
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.74
MOY[(4R)-4-(3-HYDROXYPHENYL)-1,6-DIMETHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-
5-YL](PHENYL)METHANONE
A,B2IEH0.72
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.71
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.77
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.77
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.72
TYCL-TYROSINAMIDEA2BF90.74
TYCL-TYROSINAMIDEA2OCI0.74
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.73
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
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2I0.71
ETC(R,R)-5,11-CIS-DIETHYL-5,6,11,12-
TETRAHYDROCHRYSENE-2,8-DIOL
A,B1L2J0.71
7901,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4F0.71
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.88
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.79
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.72
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.78
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA1STD0.7
BFSN-[1-(4-BROMOPHENYL)ETHYL]-5-FLUORO SALICYLAMIDEA,B,C4STD0.7
YTT(3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-
2,5-dione
A3G5H0.72
LNRL-NOREPINEPHRINEA,B2QEO0.73
LNRL-NOREPINEPHRINEA3DYE0.73
LNRL-NOREPINEPHRINEA4PAH0.73
IYR3-IODO-TYROSINEA2D980.72
IYR3-IODO-TYROSINEA2D8P0.72
IYR3-IODO-TYROSINEA,B3GFD0.72
IYR3-IODO-TYROSINEA2R1Q0.72
IYR3-IODO-TYROSINEA2ZP10.72
IYR3-IODO-TYROSINEA,B,C,D2ZXV0.72
IYR3-IODO-TYROSINEC1CF00.72
IYR3-IODO-TYROSINEA1XXZ0.72
IYR3-IODO-TYROSINEA2D970.72
IYR3-IODO-TYROSINEA1XY90.72
IYR3-IODO-TYROSINEA2Z100.72
IYR3-IODO-TYROSINEA1WQ30.72
IYR3-IODO-TYROSINEA2D8O0.72
IYR3-IODO-TYROSINEA2D8W0.72
IYR3-IODO-TYROSINEA2Z110.72
TYBTYROSINALA,B1KDZ0.74
TYBTYROSINALA1Q110.74
TYBTYROSINALA,B2J5B0.74
TYBTYROSINALA,I1GA40.74
TYBTYROSINALA,B,C1NLU0.74
TYBTYROSINALA,B1KE10.74
TYBTYROSINALA,B1H3F0.74
TYBTYROSINALA,B1H3E0.74
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
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.79
1NP1-NAPHTHOLX2ZVQ0.77
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.71
EYK2-tert-butylbenzene-1,4-diolB3EYK0.71
3XH3-Hydroxyhippuric acidA3E9K0.71
D1NNAPHTHALENE-1,2-DIOLA2EI10.72
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.74
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.79
DTYD-TYROSINEA1C4B0.74
DTYD-TYROSINEA,L1ZEA0.74
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.74
DTYD-TYROSINEA,B1UNO0.74
DTYD-TYROSINEA2IGZ0.74
DTYD-TYROSINEA,B,C,H,K,L2R5D0.74
DTYD-TYROSINEA,B2Q330.74
DTYD-TYROSINEH,S2H9E0.74
DTYD-TYROSINEA,B,C,H,K,L2R5B0.74
DTYD-TYROSINEA2IH00.74
DTYD-TYROSINEA1D7T0.74
DTYD-TYROSINEA,B1XA00.74
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE
A,B1Q0B0.72
NATETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-
2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-
5-CARBOXYLATE
A,B1X880.72
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.71
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.71
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.71
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.72
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.7
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.81
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.71
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.81