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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00004081

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.72
TYNAMINOBENZOFURAZAN-O-TYROSINEA,B,C,D,E,F1NBM0.7
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.72
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.76
3B6(2S)-N-(4-cyano-3-iodophenyl)-3-
(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
A3B650.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.85
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.85
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.85
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.85
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.71
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.76
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE
B166D0.75
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.74
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.74
2AC2-AMINO-P-CRESOLH,I1A2C0.73
2AC2-AMINO-P-CRESOLA1L4M0.73
GP81-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREAA1BJV0.72
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.73
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.74
P324-{[(2S)-3-(tert-butylamino)-2-
hydroxypropyl]oxy}-3H-indole-2-
carbonitrile
A,B,C,D2VT40.72
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.76
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.72
B11N-[3-(4-FLUOROPHENOXY)PHENYL]-4-
[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-
1-SULFONAMIDE
A1ZZ20.76
SOAISATOIC ANHYDRIDEA1BIO0.73
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.76
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.76
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM
A1FJ50.7
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.79
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.75
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.7
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H1EEI0.7
GAAMETANITROPHENYL-ALPHA-D-GALACTOSIDED,E,F,G,H,L,
M,N,O,P
1LT60.7
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.75
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.75
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.75
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.75
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide
A2VIQ0.71
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.75
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.79
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.77
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.72
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.76
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.76
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.76
GVB(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-
3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
A,B2JID0.74