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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs00840202

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
AHT4-(2,5-DIAMINO-5-HYDROXY-PENTYL)-
PHENOL
I,T1TMB0.79
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA3HF00.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA2OXK0.74
B3Y(3S)-3-AMINO-4-(4-HYDROXYPHENYL)BUTANOIC ACIDA,B,C2OXJ0.74
3QC(4R)-4-(3-HYDROXYPHENYL)-N,N,7,8-
TETRAMETHYL-3,4-DIHYDROISOQUINOLINE-
2(1H)-CARBOXAMIDE
A,B2FME0.71
CMQN~2~-[(BENZYLOXY)CARBONYL]-N-[(1S,2S)-
2-HYDROXY-1-(4-HYDROXYBENZYL)PROPYL]-
L-LEUCINAMIDE
A,B,C,D,E,F,
G,H,I,J,K,L,
M,N
2FZS0.7
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3C0.74
1092-(4-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3E0.74
4HL4-(HYDRAZINOMETHYL)PHENOLA,B2E2U0.75
BM43-[(3R)-3-ethyl-1-{9-[(3S)-3-ethyl-
3-(3-hydroxyphenyl)azepan-1-yl]nonyl}azepan-
3-yl]phenol
X2W6C0.71
2AC2-AMINO-P-CRESOLH,I1A2C0.71
2AC2-AMINO-P-CRESOLA1L4M0.71
AEG4-[(2R)-2-aminopropyl]phenolA3BUF0.79
ALEL-EPINEPHRINEA3PAH0.78
ALEL-EPINEPHRINEA2HKK0.78
ARYARYLOMYCIN A2A,B1T7D0.7
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OTF0.71
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2NUV0.71
2TN2-(4-(2-HYDROXY-3-(ISOPROPYLAMINO)PROPOXY)PHENYL)ETHANAMIDEA2OUB0.71
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3B0.76
1082-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-
PROPIONIC ACID
A1G3D0.76
247(3R)-3-amino-2,2-difluoro-3-(4-
hydroxyphenyl)propanoic acid
A,B2QVE0.73
AEF4-(2-aminoethyl)phenolA3BRA0.78
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA1DSR0.73
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H
1W7R0.73
D4P(2S)-AMINO(4-HYDROXYPHENYL)ACETIC ACIDA,B,C,D,E,F,
G,H,I,J,K,L
1W7Q0.73
ANMANISOMYCIN1,2,4,A,B,C,
D,E,J,K,L,M,
N,O,P,R,S,T,
U,V,Z
1K730.73
ANMANISOMYCIN0,1,3,9,A,B,
C,F,H,J,K,L,
M,N,O,Q,R,S,
T,U,Y,Z
3CC40.73
AEH4-(2-aminoethyl)-2-ethylphenolA3BUG0.76
AED4-(2-aminoethyl)-2-cyclohexylphenolA3BUH0.75
296(3R)-3-amino-2,2-difluoro-3-(4-
methoxyphenyl)propanoic acid
A,B2RJS0.7