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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00023519

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.72
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.73
REN(S)-reticulineA3FWA0.7
REN(S)-reticulineA3D2D0.7
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.72
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.75
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.72
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.7
4CR(1R)-4-({[ETHYL(METHYL)AMINO]CARBONYL}OXY)-
N-METHYL-N-[(1E)-PROP-2-EN-1-YLIDENE]INDAN-
1-AMINIUM
A,B2C650.73
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.74
4MP1-(4-METHOXYBENZOYL)-2-PYRROLIDINONEA,B2AL50.71
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.74
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE
B166D0.73
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.73
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.73
3MB3-METHOXYBENZAMIDEA3PAX0.72
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.75
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.76
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.75
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.89
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.85
AEF4-(2-aminoethyl)phenolA3BRA0.73
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.7
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.7
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.73
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.77
AL9N-[(4-METHOXYPHENYL)METHYL]2,5-
THIOPHENEDESULFONAMIDE
A1BN40.72
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.77
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.71
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE
A,B,C1YA40.73
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.71
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.73
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.73
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.73
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.73