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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023558

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
RNP(1E,2R)-1-(ISOPROPYLIMINO)-3-(1-
NAPHTHYLOXY)PROPAN-2-OL
X1H460.72
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.75
TOM4-(2-METHOXYPHENYL)-2-OXOBUT-3-
ENOIC ACID
A2IMF0.7
TRTFRAGMENT OF TRITON X-100A,E2I0U0.72
TRTFRAGMENT OF TRITON X-100A,B1OIZ0.72
REN(S)-reticulineA3FWA0.72
REN(S)-reticulineA3D2D0.72
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.83
3MB3-METHOXYBENZAMIDEA3PAX0.79
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.74
LDPL-DOPAMINEA,B2A3R0.7
LDPL-DOPAMINEA5PAH0.7
LDPL-DOPAMINEA,B2QMZ0.7
LDPL-DOPAMINEA,B2VQ50.7
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL
A,B,C,D,E2EWP0.71
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.71
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.71
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.71
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.71
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.72
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.77
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.72
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE
B1UUD0.74
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.71
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.71
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.71
4CR(1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)-
N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN-
1-AMINIUM
A,B2C650.78
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.81
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.81
EUG2-METHOXY-4-VINYL-PHENOLA2QU90.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1QLU0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1J0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B2VAO0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1K0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1DZN0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1L0.72
EUG2-METHOXY-4-VINYL-PHENOLA,B1W1M0.72
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.77
TOLTOLRESTATA2PDL0.7
TOLTOLRESTATA2FZD0.7
TOLTOLRESTATA2FZB0.7
TOLTOLRESTATA1AH30.7
TOLTOLRESTATX1ZUA0.7
TOLTOLRESTATA1AE40.7
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.75
TON2-{2-[4-(1,1,3,3-TETRAMETHYLBUTYL)PHENOXY]ETHOXY}ETHANOLA,B1SEZ0.7
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.7
OHT4-HYDROXYTAMOXIFENA3ERT0.71
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.71
OHT4-HYDROXYTAMOXIFENA,B1VJB0.71
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.71
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.71
OHT4-HYDROXYTAMOXIFENA2GPU0.71
OHT4-HYDROXYTAMOXIFENA2P7Z0.71
OHT4-HYDROXYTAMOXIFENA,B2BJ40.71
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.71
P124-[AMINO(IMINO)METHYL]-1-[2-(3-
AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-
1-IUM
B1UUI0.72
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.71
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.85
SAG(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]A,B2V5Z0.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.72
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE
B166D0.71
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.71
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.71
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.74
H24(6S)-2-amino-6-(3'-methoxybiphenyl-
3-yl)-3,6-dimethyl-5,6-dihydropyrimidin-
4(3H)-one
A2VA60.72
CMZ(2S)-1-(2,5-dimethylphenoxy)-3-
morpholin-4-ylpropan-2-ol
A2OF00.71
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.77
DPDA,B1QIW0.72
DPDA1QIV0.72
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.75
AEF4-(2-aminoethyl)phenolA3BRA0.7
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.77
MPP3-(3,4-DIMETHOXYPHENYL)PROPIONIC ACIDA,B2AY30.71
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.73