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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02824541

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.72
DGH(2R)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.72
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR40.79
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEB1D640.79
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEX3CR50.79
PNT1,5-BIS(4-AMIDINOPHENOXY)PENTANEA,B,D,E1RKW0.79
D242,5-BIS-[4-[CYCLOPENTA-1,3-DIEN-
5-YLAMINO-1-AMINOMETHYL]-PHEN-1-
YL]FURAN		B1EEL0.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.74
TAX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINIUM		A1FJ50.79
4BR2-(4-METHYLPHENOXY)ETHYLPHOSPHINATEA1PE70.72
MTJN,O-DIMETHYL-L-TYROSINEA,B1ATL0.73
T333,3'-DEIODO-THYROXINEA,B1THA0.76
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.73
CTX(Z)-2-[4-(1,2)-DIPHENYL-1-BUTENYL)-
PHENOXY]-N,N-DIMETHYLETHANAMINE		A,B,C1YA40.76
4BGN-[4-(benzyloxy)phenyl]glycinamideA3CHO0.72
ZHZ2-(4-METHOXYPHENYL)ACETAMIDED,H2HKR0.77
BHP(S)-5-(4-BENZYLOXY-PHENYL)-4-(7-
PHENYL-HEPTANOYLAMINO)-PENTANOIC ACID		A,B1J1A0.71
DRRA,B3BXR0.73
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.72
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.72
T443,5,3',5'-TETRAIODO-L-THYRONINEX1Y0X0.75
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK10.75
T443,5,3',5'-TETRAIODO-L-THYRONINEC,D1ICT0.75
T443,5,3',5'-TETRAIODO-L-THYRONINEA2RIW0.75
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2ROX0.75
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1IE40.75
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETB0.75
T443,5,3',5'-TETRAIODO-L-THYRONINE1,21ETA0.75
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B,C1SN00.75
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B2CEO0.75
T443,5,3',5'-TETRAIODO-L-THYRONINEA,B1F860.75
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK40.75
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK20.75
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK50.75
T443,5,3',5'-TETRAIODO-L-THYRONINEA1HK30.75
3MB3-METHOXYBENZAMIDEA3PAX0.71
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.7
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.7
SAG(S)-(+)-2-[4-(FLUOROBENZYLOXY-BENZYLAMINO)PROPIONAMIDE]A,B2V5Z0.73
OHT4-HYDROXYTAMOXIFENA3ERT0.73
OHT4-HYDROXYTAMOXIFENA,B1S9Q0.73
OHT4-HYDROXYTAMOXIFENA,B1VJB0.73
OHT4-HYDROXYTAMOXIFENA,B,C,P,R2JF90.73
OHT4-HYDROXYTAMOXIFENA,B,C,D,E,F2GPV0.73
OHT4-HYDROXYTAMOXIFENA2GPU0.73
OHT4-HYDROXYTAMOXIFENA2P7Z0.73
OHT4-HYDROXYTAMOXIFENA,B2BJ40.73
OHT4-HYDROXYTAMOXIFENA,B2FSZ0.73
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.71
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.71
AL9N-[(4-METHOXYPHENYL)METHYL]2,5-
THIOPHENEDESULFONAMIDE		A1BN40.71
D192,5-BIS{[4-(N-CYCLOPROPYLDIAMINOMETHYL)PHENYL]}FURANA289D0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L		3EWF0.75
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.75
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.75
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.75
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.7
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.7
AEF4-(2-aminoethyl)phenolA3BRA0.76
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.72
D182,5-BIS{[4-(N-ISOPROPYL)DIAMINOMETHYL]PHENYL}FURANB298D0.73
4BS4-amino-N-[4-(benzyloxy)phenyl]butanamideA3CHR0.72
ZHH2-(4-METHOXYPHENYL)ETHANAMINED,H2HKR0.87
HA26-[{(2S)-2-AMINO-3-[4-(BENZYLOXY)PHENYL]PROPYL}(HYDROXY)AMINO]-
6-OXOHEXANOIC ACID)		A2VJ80.72
PET1,5-DI(4-AMIDINOPHENOXY)-3-OXA-
PENTANE		B166D0.79
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H		1W7R0.72
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L		1W7Q0.72
SFX(3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWW0.81
5PP5-PENTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B360.7
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.79
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.79
8PS5-OCTYL-2-PHENOXYPHENOLA,B,C,D,E,F2B370.7
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid		A,B2QVE0.7
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.89
RFX(3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-
1-amine		A3GWV0.81
LDPL-DOPAMINEA,B2A3R0.71
LDPL-DOPAMINEA5PAH0.71
LDPL-DOPAMINEA,B2QMZ0.71
LDPL-DOPAMINEA,B2VQ50.71
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL		I,T1TMB0.72
FLTFLUOROMALONYL TYROSINEI1BZH0.72
TXF(Z)-4-(1-{4-[2-(DIMETHYLAMINO)ETHOXY]PHENYL}-
5-HYDROXY-2-PHENYLPENT-1-ENYL)PHENOL		A,B,C,D,E2EWP0.72
TL32,5-BIS-O-{4-[AMINO(IMINO)METHYL]PHENYL}-
1,4:3,6-DIANHYDRO-D-GLUCITOL		T1Y5B0.71
P124-[AMINO(IMINO)METHYL]-1-[2-(3-
AMMONIOPROPOXY)-5-METHOXYBENZYL]PIPERAZIN-
1-IUM		B1UUI0.7
ZZ14-METHYL-2H-CHROMEN-2-ONEA2CIP0.7
505(2R)-1-(2,6-dimethylphenoxy)propan-
2-amine		A2VIN0.8
P14N-[2-(2-{[(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)AMINO]METHYL}-
4-METHOXYPHENOXY)ETHYL]GUANIDINE		B1UUD0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.78
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.8
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE		C1A8G0.78
Y124-{(1E)-3-OXO-3-[(2-PHENYLETHYL)AMINO]PROP-
1-EN-1-YL}-1,2-PHENYLENE DIACETATE		A2EW50.74
D352,5-BIS{[4-(N-CYCLOHEXYLDIAMINOMETHYL)PHENYL]}FURANA1FMS0.7
DPDA,B1QIW0.78
DPDA1QIV0.78
SNP1-(ISOPROPYLAMINO)-3-(1-NAPHTHYLOXY)-
2-PROPANOL		A1DY40.72
11N1-[1'-(3-phenylacryloyl)spiro[1-
benzofuran-3,4'-piperidin]-5-yl]methanamine		A,B,C,D2ZEC0.71
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid		A,B2RJS0.78
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.73
MR11-(1,3-BENZODIOXOL-5-YL)METHANAMINEA2ORQ0.76
D342,5-BIS{[4-(N-CYCLOBUTYLDIAMINOMETHYL)PHENYL]}FURANA1FMQ0.7