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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00442796

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.74
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.74
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.74
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.78
B11N-[3-(4-FLUOROPHENOXY)PHENYL]-4-
[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-
1-SULFONAMIDE
A1ZZ20.78
4BO(3S)-3-amino-4-oxo-4-[(4-phenylmethoxyphenyl)amino]butanoic acidA3CHP0.71
4BQ(2S)-2-amino-5-oxo-5-[(4-phenylmethoxyphenyl)amino]pentanoic acidA3CHQ0.7
GP81-(2-AMIDINOPHENYL)-3-(PHENOXYPHENYL)UREAA1BJV0.71
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.75
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.75
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.74
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.74
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.71
2AC2-AMINO-P-CRESOLH,I1A2C0.71
2AC2-AMINO-P-CRESOLA1L4M0.71
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.75
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE
B166D0.74
TF52-[(2',3',4'-TRIFLUOROBIPHENYL-
2-YL)OXY]ETHANOL
A,B2OP30.7
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.77
SOAISATOIC ANHYDRIDEA1BIO0.71
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.75
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.71
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.74
P324-{[(2S)-3-(tert-butylamino)-2-
hydroxypropyl]oxy}-3H-indole-2-
carbonitrile
A,B,C,D2VT40.7
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.74
GVB(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-
3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
A,B2JID0.72
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.72
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.7
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.74
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.74
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.74
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.74
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.73
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.74
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.83
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.83
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.83
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.83