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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03320097

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
3XH3-Hydroxyhippuric acidA3E9K0.73
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.71
DK22-[(1R)-1-CARBOXY-2-(4-HYDROXYPHENYL)ETHYL]-
1,3-DIOXOISOINDOLINE-5-CARBOXYLIC ACID
A,B2PU20.74
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.71
629[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-
PIPERIDIN-2-YL)- ACETIC ACID
A1JIJ0.77
MTYMETA-TYROSINEA2TOH0.74
MTYMETA-TYROSINEA,B1BIQ0.74
MTYMETA-TYROSINEA1Q7O0.74
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.74
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.76
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.76
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.76
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.7
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.7
D3P(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.77
D3P(2R)-AMINO(3,5-DIHYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.77
CJO[(2R,4R)-2-[(1R,2R)-1-amino-2-hydroxypropyl]-
4-(4-hydroxybenzyl)-5-oxoimidazolidin-
1-yl]acetic acid
A2QT20.72
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
AB8(1S,3R,8AS)-8-(2-{(4S,6S)-3-(4-
HYDROXY-3-METHOXYBENZYL)-4-[2-(METHYLAMINO)-
2-OXOETHYL]-2-OXO-1,3-OXAZINAN-
6-YL}ETHYL)-3,7-DIMETHYL-1,2,3,7,8,8A-
HEXAHYDRONAPHTHALEN-1-YL (2R)-2-
METHYLBUTANOATE
A,B1XDG0.7
YOF3-FLUOROTYROSINEA,B1XIL0.7
YOF3-FLUOROTYROSINEA,B1XDC0.7
YOF3-FLUOROTYROSINEA1RRX0.7
YOF3-FLUOROTYROSINEA,B3FYG0.7
DAH3,4-DIHYDROXYPHENYLALANINEA,B1RNR0.72
DAH3,4-DIHYDROXYPHENYLALANINEA6PAH0.72
DAH3,4-DIHYDROXYPHENYLALANINEA,B1IVV0.72
OI13-(4-HYDROXYBENZYL)-2-[1-({[2-(4-
HYDROXYPHENYL)ETHYL]AMINO}CARBONYL)BUTYL]-
4-OXO-3,6,11,11A-TETRAHYDRO-4H-
PYRAZINO[1,2-B]ISOQUINOLIN-2-IUM-
1-OLATE
A,B1Q9D0.71
REN(S)-reticulineA3FWA0.73
REN(S)-reticulineA3D2D0.73
383[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(2,4,5,8-TETRAHYDROXY-7-OXA-2-
AZA-BICYCLO[3.2.1]OCT-3-YL)- ACETIC ACID
A1JII0.73
CZO[(2R,4S)-2-[(1S,2R)-1-amino-2-hydroxypropyl]-
2-hydroxy-4-(4-hydroxybenzyl)-5-
oxoimidazolidin-1-yl]acetic acid
A2QRF0.71
545[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(1,3,4,5-TETRAHYDROXY-4-HYDROXYMETHYL-
PIPERIDIN-2-YL)- ACETIC ACID BUTYL ESTER
A1JIK0.75
TY33-HYDROXY-L-TYROSINEA,B2VH30.72
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
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
AA63-[4,5-DIHYDROXY-2-2-(2-HYDROXYETHYLAMINO)-
PHENYL]-2-METHYLAMINO-PROPIONIC ACID
E,I1QR30.7
B1L3-[(4-HYDROXYBENZOYL)AMINO]AZEPAN-
4-YL 4-HYDROXYBENZOATE
A1REJ0.72
PY94-{[(2R)-2-(2-methylphenyl)pyrrolidin-
1-yl]carbonyl}benzene-1,3-diol
A,B3EKR0.71
IYTN-ALPHA-ACETYL-3,5-DIIODOTYROSYL-
D-THREONINE
A1SDW0.71
098(3R)-N~2~-(cyclopropylmethyl)-N~1~-
hydroxy-3-(3-hydroxybenzyl)-N~4~-
[(1S,2R)-2-hydroxy-2,3-dihydro-
1H-inden-1-yl]-L-aspartamide
A,B3HY90.71
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.76
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.76
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B2AH80.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B,C,D1HCJ0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B,C,D1W7S0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B,C,D1W7T0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B2AHA0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A1EME0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B1KP50.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A1EMM0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A1EML0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B,C,D1W7U0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A,B,C,D1EMC0.7
CSY[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-
1-METHYL-ETHYL)-5-OXO-IMIDAZOLIDIN-
1-YL]-ACETIC ACID
A2HPW0.7
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.71
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol
A3FW90.7
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.76
YBYN-{[(1S)-1-carboxy-2-(4-hydroxy-
3-iodophenyl)ethyl]carbamoyl}-L-
glutamic acid
A3D7F0.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.72
NLTN-DODECANOYL-L-TYROSINEA,B,C,D,E,F,
G,H
2G0B0.73
ALEL-EPINEPHRINEA3PAH0.71
ALEL-EPINEPHRINEA2HKK0.71
ARYARYLOMYCIN A2A,B1T7D0.76
IYR3-IODO-TYROSINEA2D980.7
IYR3-IODO-TYROSINEA2D8P0.7
IYR3-IODO-TYROSINEA,B3GFD0.7
IYR3-IODO-TYROSINEA2R1Q0.7
IYR3-IODO-TYROSINEA2ZP10.7
IYR3-IODO-TYROSINEA,B,C,D2ZXV0.7
IYR3-IODO-TYROSINEC1CF00.7
IYR3-IODO-TYROSINEA1XXZ0.7
IYR3-IODO-TYROSINEA2D970.7
IYR3-IODO-TYROSINEA1XY90.7
IYR3-IODO-TYROSINEA2Z100.7
IYR3-IODO-TYROSINEA1WQ30.7
IYR3-IODO-TYROSINEA2D8O0.7
IYR3-IODO-TYROSINEA2D8W0.7
IYR3-IODO-TYROSINEA2Z110.7
485[2-AMINO-3-(4-HYDROXY-PHENYL)-PROPIONYLAMINO]-
(3,4,5-TRIHYDROXY-6-METHYL-TETRAHYDRO-
PYRAN-2-YL)- ACETIC ACID
A1JIL0.76