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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02180808

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE
B1UUD0.75
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.71
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.73
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.71
LDPL-DOPAMINEA,B2A3R0.77
LDPL-DOPAMINEA5PAH0.77
LDPL-DOPAMINEA,B2QMZ0.77
LDPL-DOPAMINEA,B2VQ50.77
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.71
HV8BENZYL-2-AMINO-PARAMETHOXY-BENZYLSTATINEC1A8G0.74
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.73
P124-[AMINO(IMINO)METHYL]-1-[2-(3-
AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-
1-IUM
B1UUI0.71
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.74
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.74
AAU(5R,6R)-5-BENZYL-6-HYDROXY-2,4-
BIS(4-HYDROXY-3-METHOXYBENZYL)-
1-[3-(4-HYDROXYPHENYL)PROPANOYL]-
1,2,4-TRIAZEPAN-3-ONE
B2A4F0.71
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.7
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.7
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.75
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.75
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.75
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLM0.71
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLF0.71
F6F2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATEA,B2CLE0.71
XX62-{[(2R)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3I0.7
XX72-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-
1,3-DIOL
A2V3R0.7
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.73
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,B1XDG0.72
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.76
AEF4-(2-aminoethyl)phenolA3BRA0.71
HFL5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-
BENZENE-1,2-DIOL
C,F1KYW0.73
GNT(-)-GALANTHAMINEA1DX60.73
GNT(-)-GALANTHAMINEA1QTI0.73
GNT(-)-GALANTHAMINEA,B,C,D,E2PH90.73
GNT(-)-GALANTHAMINEA,B1W760.73
GNT(-)-GALANTHAMINEA1W6R0.73
C61(2R,4S,5S,7S)-5-AMINO-N-BUTYL-4-
HYDROXY-7-[4-METHOXY-3-(3-METHOXYPROPOXY)BENZYL]-
2,8-DIMETHYLNONANAMIDE
C,O2V100.73
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.78
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.78
5RM(5R)-5-(4-methoxy-3-propoxyphenyl)-
5-methyl-1,3-oxazolidin-2-one
A,B1XM60.73
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.73
A88(5R,6R)-2,4-BIS-(4-HYDROXY-3-METHOXYBENZYL)-
1,5-DIBENZYL-3-OXO-6-HYDROXY-1,2,4-
TRIAZACYCLOHEPTANE
A1PRO0.74
ALEL-EPINEPHRINEA3PAH0.83
ALEL-EPINEPHRINEA2HKK0.83
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.73
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL
A1DY40.73
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.77
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.77
C41ALISKIRENC,O2V0Z0.71
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE
A2EW50.72
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C1L6M0.7
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3CBC0.7
DBS2-(2,3-DIHYDROXY-BENZOYLAMINO)-
3-HYDROXY-PROPIONIC ACID
A,B,C3BY00.7
TMSN-PROPYL-4-[(E)-2-(3,4,5-TRIMETHOXY-
PHENYL)-VINYL]-BENZAMIDE
A,B1X6W0.74
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.75
4FE(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-
2-enoic acid
A3CBG0.73
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.7
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.78
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.79
ROLROLIPRAMA,B,C,D1OYN0.72
ROLROLIPRAMA,B1XMY0.72
ROLROLIPRAMA,B,C,D1Q9M0.72
ROLROLIPRAMA,B1RO60.72
ROLROLIPRAMA,B1XN00.72
ROLROLIPRAMA,B1TBB0.72
DPDA,B1QIW0.78
DPDA1QIV0.78
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,C,E1KYZ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1JT20.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A6ATJ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1GKL0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GWT0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B,C2BJH0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A1GW20.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A3CBG0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A2BNJ0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A,B1UWC0.73
FER3-(4-HYDROXY-3-METHOXYPHENYL)-2-
PROPENOIC ACID
A7ATJ0.73
LNRL-NOREPINEPHRINEA,B2QEO0.78
LNRL-NOREPINEPHRINEA3DYE0.78
LNRL-NOREPINEPHRINEA4PAH0.78
SLX(13aS)-3,10-dimethoxy-5,8,13,13a-
tetrahydro-6H-isoquino[3,2-a]isoquinoline-
2,9-diol
A3FW90.77
4SR(4S)-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]PYRROLIDIN-
2-ONE
A,B1XN00.72
REN(S)-reticulineA3FWA0.8
REN(S)-reticulineA3D2D0.8