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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02294249

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
GVB(3R,4S)-1-(3,4-DIMETHOXYPHENYL)-
3-(3-METHYLPHENYL)PIPERIDIN-4-AMINE
A,B2JID0.71
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.72
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.72
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.75
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA1ZWP0.73
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA3E9X0.73
NIM4-NITRO-2-PHENOXYMETHANESULFONANILIDEA2OTH0.73
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
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.72
RNO(R)-PARA-NITROSTYRENE OXIDEA,B,C,D1ZMT0.72
ROSN,N'-TETRAMETHYL-ROSAMINEA1F1T0.76
RJ6N-(3,5-dimethoxyphenyl)imidodicarbonimidic diamideA,B,C,D3DG80.7
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine
A2VIN0.75
B11N-[3-(4-FLUOROPHENOXY)PHENYL]-4-
[(2-HYDROXYBENZYL)AMINO]PIPERIDINE-
1-SULFONAMIDE
A1ZZ20.74
D554-(2-aminoethoxy)-N-(2,5-diethoxyphenyl)-
3,5-dimethylbenzamide
A2VIQ0.7
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.88
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.88
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.88
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.88
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWV0.71
EPN3-(4-NITRO-PHENOXY)-PROPAN-1-OLA2SAM0.73
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.73
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.76
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.71
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine
A3GWW0.71
N4EN-(4-ethoxyphenyl)acetamideA,B,C,D3EBS0.77
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE
B166D0.71
451N-(6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecin-
2-yl)acetamide
A3FYX0.74
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V970.7
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V980.7
CFQ1-(2-nitrophenyl)-2,2,2-trifluoroethyl]-
arsenocholine
A,B2V960.7
SOAISATOIC ANHYDRIDEA1BIO0.73
2AC2-AMINO-P-CRESOLH,I1A2C0.74
2AC2-AMINO-P-CRESOLA1L4M0.74
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.75
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.75
P324-{[(2S)-3-(tert-butylamino)-2-
hydroxypropyl]oxy}-3H-indole-2-
carbonitrile
A,B,C,D2VT40.74
3B6(2S)-N-(4-cyano-3-iodophenyl)-3-
(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
A3B650.7
GAT4'-AMINOPHENYL-ALPHA-D-GALACTOPYRANOSIDED,E,F,G,H1EFI0.7
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.78
SNO(S)-PARA-NITROSTYRENE OXIDEA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P
1ZO80.72