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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03159930

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
EDREDROPHONIUM IONA1AX90.73
EDREDROPHONIUM IONA2ACK0.73
EPTHEPTANYL-P-PHENOLA,B1AHZ0.73
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.72
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.72
LYL2-ALLYL-6-METHYL-PHENOLA1OV70.72
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.75
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.76
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.77
LJ12,6-dimethyl-4-[(E)-2-phenylethenyl]phenolA,B3CN00.71
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTR4-(2R-AMINO-1-HYDROXYETHYL)PHENOLA,B2AN40.72
AEF4-(2-aminoethyl)phenolA3BRA0.76
RHP(3R)-3-(PROP-2-YNYLAMINO)INDAN-
5-OL
A,B1S3E0.74
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.72
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.72
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,D1Y0G0.74
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG20.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RG10.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RH00.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGU0.72
OTS4-(2S-AMINO-1-HYDROXYETHYL)PHENOLA,B1RGT0.72
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQR0.85
SAF3-[(1S)-1-(DIMETHYLAMINO)ETHYL]PHENOLA1GQS0.85
PCRP-CRESOLA1JHV0.72
PCRP-CRESOLA1JHU0.72
PCRP-CRESOLA,B,C,D1DIQ0.72
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.72
DESDIETHYLSTILBESTROLA,B,C,D1S9P0.71
DESDIETHYLSTILBESTROLA,B3ERD0.71
DESDIETHYLSTILBESTROLA,B1TT60.71
DESDIETHYLSTILBESTROLA,B,C,D1TZ80.71
A484-[(DIMESITYLBORYL)(2,2,2-TRIFLUOROETHYL)AMINO]PHENOLA,B2Q6J0.71
LDPL-DOPAMINEA,B2A3R0.71
LDPL-DOPAMINEA5PAH0.71
LDPL-DOPAMINEA,B2QMZ0.71
LDPL-DOPAMINEA,B2VQ50.71
ETY4-ethylphenolA,B,C,D2RA60.72
RM24-HYDROXY-N-PROPARGYL-1(R)-AMINOINDANA,B2C660.72
2LP2-ALLYLPHENOLA1OV50.74
DMC3-(4-DIETHYLAMINO-2-HYDROXY-PHENYL)-
2-METHYL-PROPIONIC ACID
G4GCH0.73
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.78
IPB5-METHYL-2-(1-METHYLETHYL)PHENOLA,B1E060.71
PZM1-(4-METHOXYPHENYL)METHANAMINEA,D,H2HJB0.7
HV71-METHYLAMINE-2-HYDROXY-4-METHOXY-
BENZENE
C1A8G0.72
MA0(1R)-6-HYDROXY-N-METHYL-N-[(1Z)-
PROP-2-EN-1-YLIDENE]INDAN-1-AMINIUM
A,B2C640.76
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.75
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.73
TYCL-TYROSINAMIDEA2BF90.7
TYCL-TYROSINAMIDEA2OCI0.7
PFL2,6-BIS(1-METHYLETHYL)PHENOLA,B1E7A0.72
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