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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03576824

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
2MP3,4-DIMETHYLPHENOLA1L5O0.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.7
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.81
EPTHEPTANYL-P-PHENOLA,B1AHZ0.74
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
BPZ4,4'-cyclohexane-1,1-diyldiphenolA2ZKC0.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.78
DESDIETHYLSTILBESTROLA,B3ERD0.78
DESDIETHYLSTILBESTROLA,B1TT60.78
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.78
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.8
L473-[(5S)-1-ACETYL-3-(2-CHLOROPHENYL)-
4,5-DIHYDRO-1H-PYRAZOL-5-YL]PHENOL
A,B1YRS0.71
LDPL-DOPAMINEA,B2A3R0.72
LDPL-DOPAMINEA5PAH0.72
LDPL-DOPAMINEA,B2QMZ0.72
LDPL-DOPAMINEA,B2VQ50.72
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEB102D0.7
TNT1,3-BIS(AMIDINOPHENOXY)PROPANEA1PRP0.7
DTYD-TYROSINEA1C4B0.71
DTYD-TYROSINEA,L1ZEA0.71
DTYD-TYROSINEA,B,C,D,E,F,
G,H
1OF60.71
DTYD-TYROSINEA,B1UNO0.71
DTYD-TYROSINEA2IGZ0.71
DTYD-TYROSINEA,B,C,H,K,L2R5D0.71
DTYD-TYROSINEA,B2Q330.71
DTYD-TYROSINEH,S2H9E0.71
DTYD-TYROSINEA,B,C,H,K,L2R5B0.71
DTYD-TYROSINEA2IH00.71
DTYD-TYROSINEA1D7T0.71
DTYD-TYROSINEA,B1XA00.71
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.73
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.73
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.72
TYBTYROSINALA,B1KDZ0.71
TYBTYROSINALA1Q110.71
TYBTYROSINALA,B2J5B0.71
TYBTYROSINALA,I1GA40.71
TYBTYROSINALA,B,C1NLU0.71
TYBTYROSINALA,B1KE10.71
TYBTYROSINALA,B1H3F0.71
TYBTYROSINALA,B1H3E0.71
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.75
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.81
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.81
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.71
OX43-FLUORO-4-HYDROXYBENZALDEHYDE O-
(CYCLOHEXYLCARBONYL)OXIME
A,B,C2OOW0.74
8PP2-[(2E,6E,10E,14E,18E,22E,26E)-
3,7,11,15,19,23,27,31-OCTAMETHYLDOTRIACONTA-
2,6,10,14,18,22,26,30-OCTAENYL]PHENOL
A,B,C,D1Y0G0.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.77
2AC2-AMINO-P-CRESOLH,I1A2C0.71
2AC2-AMINO-P-CRESOLA1L4M0.71
55E4-(4-hydroxy-3-methylphenyl)-6-
phenylpyrimidin-2(5H)-one
A3DCV0.79
GHP4-HYDROXYPHENYLGLYCINEA1DSR0.72
TYCL-TYROSINAMIDEA2BF90.71
TYCL-TYROSINAMIDEA2OCI0.71
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.83
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
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.71
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.71
DID4,4'[1,6-HEXANEDIYLBIS(OXY)]BISBENZENECARBOXIMIDAMIDEA,B,C,D1RPW0.71
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1J3F0.8
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1UFJ0.8
CZM'N,N'-BIS-(2-HYDROXY-3-METHYL-BENZYLIDENE)-
BENZENE-1,2-DIAMINE'
A1V9Q0.8
CUP(N-SALICYLIDEN-L-PHENYLALANATO)-
COPPER(II)
A2EB80.72
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.75
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.77
TTS3-((3E)-4-HYDROXY-3-{[2-(4-HYDROXYPHENYL)ETHYL]IMINO}-
6-OXOCYCLOHEXA-1,4-DIEN-1-YL)ALANINE
A,B2D1W0.71
Y13(2E)-3-(3,4-DIHYDROXYPHENYL)-N-
[2-(4-HYDROXYPHENYL)ETHYL]ACRYLAMIDE
A2EW60.71
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2E2R0.74
2OH4,4'-PROPANE-2,2-DIYLDIPHENOLA2P7G0.74
1OH4-(1-methyl-1-phenylethyl)phenolA2ZAS0.74
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
ETY4-ethylphenolA,B,C,D2RA60.75
OX34-HYDROXYBENZALDEHYDE O-(CYCLOHEXYLCARBONYL)OXIMEA,B,C2OOH0.75
HXS4-[(1R,2S)-1-ethyl-2-(4-hydroxyphenyl)butyl]phenolA,B3CV60.75
AEF4-(2-aminoethyl)phenolA3BRA0.78
PCRP-CRESOLA1JHV0.73
PCRP-CRESOLA1JHU0.73
PCRP-CRESOLA,B,C,D1DIQ0.73
2LP2-ALLYLPHENOLA1OV50.72
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.75
OX54-HYDROXYBENZALDEHYDE O-(3,3-DIMETHYLBUTANOYL)OXIMEA,B,C2OOZ0.76
5554-(4-HYDROXYPHENYL)-1-NAPHTHALDEHYDE OXIMEA,B2NV70.76
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.72
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