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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02544742

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.79
4A34-AMINO-3-HYDROXYBENZOIC ACIDA,B2HDR0.74
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.75
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.75
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.75
NPOP-NITROPHENOLA,B1Z440.73
NPOP-NITROPHENOLX2ZYW0.73
NPOP-NITROPHENOLH,L1YEK0.73
NPOP-NITROPHENOLA,C,E,G43CA0.73
NPOP-NITROPHENOLA1LS60.73
NPOP-NITROPHENOLX2ZVP0.73
NPOP-NITROPHENOLA,B2I100.73
NPOP-NITROPHENOLA1VAH0.73
NPOP-NITROPHENOLA,B3ETT0.73
NPOP-NITROPHENOLA,B2D200.73
NPOP-NITROPHENOLX2ZYV0.73
AHC4-AMINOHYDROCINNAMIC ACIDA,B2AY10.72
DMBA,B1SRI0.72
2MP3,4-DIMETHYLPHENOLA1L5O0.72
MAZFORMIC ACID 3-AMINO-BENZYL ESTERH,L1JYQ0.71
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.71
TN15,6,7,8-TETRAHYDRONAPHTHALEN-1-
OL
A1YSG0.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.73
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.73
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.73
LI7(3E)-3-[(4-HYDROXYPHENYL)IMINO]-
1H-INDOL-2(3H)-ONE
A1YXX0.7
BP71,1'-BIPHENYL-3,4-DIOLA2EI00.74
HABA,B1SRE0.74
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.72
DESDIETHYLSTILBESTROLA,B3ERD0.72
DESDIETHYLSTILBESTROLA,B1TT60.72
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.73
TY23-AMINO-L-TYROSINEA,B2VH30.77
AEJ(1S)-1-{4-[(9AR)-OCTAHYDRO-2H-PYRIDO[1,2-
A]PYRAZIN-2-YL]PHENYL}-2-PHENYL-
1,2,3,4-TETRAHYDROISOQUINOLIN-6-
OL
A,B,C,D1XQC0.73
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
TTLTRANS-(1S,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN50.7
MTBA,B1SRF0.73
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D1PX00.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A,B,C,D2ZHM0.7
RPN(R)-1-PARA-NITRO-PHENYL-2-AZIDO-
ETHANOL
A2ZHN0.7
BRS2-[1-(4-CHLORO-PHENYL)-ETHYL]-4,6-
DINITRO-PHENOL
A,B,D,M,N,O,P1KFY0.71
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.72
ILHA2FQI0.71
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.77
LDPL-DOPAMINEA,B2A3R0.75
LDPL-DOPAMINEA5PAH0.75
LDPL-DOPAMINEA,B2QMZ0.75
LDPL-DOPAMINEA,B2VQ50.75
SOAISATOIC ANHYDRIDEA1BIO0.79
ISOPARA-ISOPROPYLANILINEA1BMA0.7
ISOPARA-ISOPROPYLANILINEA,B1ELC0.7
ISOPARA-ISOPROPYLANILINEA,B1ELB0.7
ISOPARA-ISOPROPYLANILINEA,B1ELA0.7
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.7
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.76
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.76
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.71
BPYBIPHENYL-2,3-DIOLA1KMY0.74
BPYBIPHENYL-2,3-DIOLB1KW80.74
BPYBIPHENYL-2,3-DIOLA2EI30.74
BPYBIPHENYL-2,3-DIOLA1EIR0.74
BPYBIPHENYL-2,3-DIOLB1KW60.74
BPYBIPHENYL-2,3-DIOLB1KWC0.74
BPYBIPHENYL-2,3-DIOLB1KW90.74
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.74
CTLCIS-(1R,2S)-2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALEN-
1-OL
A,B2AN30.7
EYK2-tert-butylbenzene-1,4-diolD,F3EYM0.72
EYK2-tert-butylbenzene-1,4-diolB3EYK0.72
2AF2-AMINOPHENOLA1L4N0.8
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.73
ANFANTHRONEH2BJM0.71
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.71
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.75
1NP1-NAPHTHOLX2ZVQ0.74
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.76
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,C,D,I,J,
K,L
3EWF0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEA,B,I,L2V5W0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEB1VDN0.71
MCM7-AMINO-4-METHYL-CHROMEN-2-ONEC1VAI0.71
7901,2,3,4-TETRAHYDROQUINOLIN-8-YL DIHYDROGEN PHOSPHATEA1O4F0.71
DIN1,6-DIHYDROXY NAPHTHALENEA1ZB60.71
ETY4-ethylphenolA,B,C,D2RA60.7
AZY3-AZIDO-L-TYROSINEA2YXN0.75
2AC2-AMINO-P-CRESOLH,I1A2C0.84
2AC2-AMINO-P-CRESOLA1L4M0.84
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A1AMN0.71
NAFM-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-
TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
A,B2H9Y0.71
DTYD-TYROSINEA1C4B0.7
DTYD-TYROSINEA,L1ZEA0.7
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.7
DTYD-TYROSINEA,B1UNO0.7
DTYD-TYROSINEA2IGZ0.7
DTYD-TYROSINEA,B,C,H,K,L2R5D0.7
DTYD-TYROSINEA,B2Q330.7
DTYD-TYROSINEH,S2H9E0.7
DTYD-TYROSINEA,B,C,H,K,L2R5B0.7
DTYD-TYROSINEA2IH00.7
DTYD-TYROSINEA1D7T0.7
DTYD-TYROSINEA,B1XA00.7
BPNPARANITROBENZYL ALCOHOLH,L1YEG0.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
TYBTYROSINALA,B1KDZ0.7
TYBTYROSINALA1Q110.7
TYBTYROSINALA,B2J5B0.7
TYBTYROSINALA,I1GA40.7
TYBTYROSINALA,B,C1NLU0.7
TYBTYROSINALA,B1KE10.7
TYBTYROSINALA,B1H3F0.7
TYBTYROSINALA,B1H3E0.7
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
NABA,B1SRJ0.71
SGI3-(4-hydroxyphenyl)propanamideA,B2R9K0.73
FENN-(4-HYDROXYPHENYL)ALL-TRANS RETINAMIDEA1FEL0.75
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.7
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBC0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1PBF0.71
BHA2-HYDROXY-4-AMINOBENZOIC ACIDA1SXK0.71
3HA3-HYDROXYANTHRANILIC ACIDA,B1U1W0.71
3HA3-HYDROXYANTHRANILIC ACIDA1YFY0.71
MHBA,B1SRG0.72
3FTA2BXV0.72
DNT2-[1-METHYLHEXYL]-4,6-DINITROPHENOLA,B,C1NEN0.73
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.71
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.71
44B1,1,1,3,3,3-HEXAFLUORO-2-{4-[(2,2,2-
TRIFLUOROETHYL)AMINO]PHENYL}PROPAN-
2-OL
A,B,C,D1PQ90.74
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYM0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)B,C,D1TYL0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2OCU0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A,B,C,D,F3DJI0.73
TYLN-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL)A2DPZ0.73
MTYMETA-TYROSINEA2TOH0.71
MTYMETA-TYROSINEA,B1BIQ0.71
MTYMETA-TYROSINEA1Q7O0.71
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.7
MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONEA1M2R0.73
AEF4-(2-aminoethyl)phenolA3BRA0.77
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.74
NCR2-NITRO-P-CRESOLA,B1AHV0.75
LNRL-NOREPINEPHRINEA,B2QEO0.7
LNRL-NOREPINEPHRINEA3DYE0.7
LNRL-NOREPINEPHRINEA4PAH0.7
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.74
2LP2-ALLYLPHENOLA1OV50.72
4NL4-AMINOPHENOLA2ORL0.81
NIYMETA-NITRO-TYROSINEA2ADP0.71
NIYMETA-NITRO-TYROSINEA3DIV0.71
NIYMETA-NITRO-TYROSINEA2H5U0.71
NIYMETA-NITRO-TYROSINEA1K4Q0.71
NIYMETA-NITRO-TYROSINEB,G,O,Y1SDA0.71
STLRESVERATROLA,B3CKL0.7
STLRESVERATROLA,B,C,D1U0W0.7
STLRESVERATROLA1CGZ0.7
STLRESVERATROLA,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2JIZ0.7
STLRESVERATROLA1Z1F0.7
STLRESVERATROLA1DVS0.7
STLRESVERATROLA,B1SG00.7
TYCL-TYROSINAMIDEA2BF90.7
TYCL-TYROSINAMIDEA2OCI0.7
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.77
EPTHEPTANYL-P-PHENOLA,B1AHZ0.71
CRSM-CRESOLA,B,C,D1EV30.71
CRSM-CRESOLA,B,C,D,E,F2OMG0.71
CRSM-CRESOLA,B1UZ90.71
CRSM-CRESOLA,B,C,D1ZEH0.71
CRSM-CRESOLA,B,C,D,E,F1ZEI0.71
CRSM-CRESOLA,C,D,E7INS0.71
CRSM-CRESOLA,B,C,D,E,G,
I,K
1EV60.71