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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02747133

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
SMASTIGMATELLIN AA,C,D,E,N,P,
Q,R		3H1I0.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,O,P,Q,R,S,T		1PPJ0.71
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CXH0.71
SMASTIGMATELLIN AC,D,E,P,Q,R1ZRT0.71
SMASTIGMATELLIN AC,H,L,M2JBL0.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,I,N,O,P,Q,
R,S,T,U,V,W		2A060.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L		2QJP0.71
SMASTIGMATELLIN AA,C,D,E1KB90.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJK0.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,N,O,P,Q,R,
S,T		1PP90.71
SMASTIGMATELLIN AC,D,E2IBZ0.71
SMASTIGMATELLIN AA,C,D,E,L,N,
O,P,W		3CX50.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2FYN0.71
SMASTIGMATELLIN AA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R		2QJY0.71
SMASTIGMATELLIN AC,D,E1EZV0.71
SMASTIGMATELLIN AC,D,E,N,O,P,W1KYO0.71
SMASTIGMATELLIN AA,C,D,E,G,N,
P,Q,R,S		3H1J0.71
SMASTIGMATELLIN AC,D,E1SQX0.71
AFN8,9-DIHYDRO-9-HYDROXY-AFLATOXIN B1A1N1N0.72
VXXVANILLATEA,B1WB60.72
E3GESTRONE BETA-D-GLUCURONIDEH,L1CFV0.75
FC25-(2,5-DICHLOROPHENYL)-2-FUROIC ACIDA2EVM0.72
WRS4-HYDROXY-3-[(1S,3S)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1HA20.73
FCD5-(2-CHLOROPHENYL)FURAN-2-CARBOXYLIC ACIDA1XNZ0.74
KWT(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-
1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-
1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-
3H-FURO[4,3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-
11-YL ACETATE		A3D5X0.8
KWT(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-
1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-
1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-
3H-FURO[4,3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-
11-YL ACETATE		A1E7U0.8
L41{4-[3-(4-acetyl-3-hydroxy-2-propylphenoxy)propoxy]phenoxy}acetic acidA,B3D5F0.74
WRR4-HYDROXY-3-[(1S,3R)-3-HYDROXY-
1-PHENYLBUTYL]-2H-CHROMEN-2-ONE		A1H9Z0.73
NCZ2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-
1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-
CYCLOPENT-3-ENYL ESTER		A1J5I0.73
BRZ6-(1,1-DIMETHYLALLYL)-2-(1-HYDROXY-
1-METHYLETHYL)-2,3-DIHYDRO-7H-FURO[3,2-
G]CHROMEN-7-ONE		C1K3T0.75
NRO3-[5-(2-nitropent-1-en-1-yl)furan-
2-yl]benzoic acid		A,B2ZK50.7
3972-(4-HYDROXY-PHENYL)BENZOFURAN-
5-OL		A,B1U9E0.71
FC35-[2-(TRIFLUOROMETHYL)PHENYL]-2-
FUROIC ACID		A2EVC0.77
HMY(1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-
3-methoxy-8-methyl-8,9,13,14,15,15a-
hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-
6,12(1aH)-dione		A,B3C9W0.74
B215-(2-METHOXYPHENYL)-2-FUROIC ACIDA2Q930.78
FRR(3R,5Z,8S,9S,11E)-8,9,16-TRIHYDROXY-
14-METHOXY-3-METHYL-3,4,9,10-TETRAHYDRO-
1H-2-BENZOXACYCLOTETRADECINE-1,7(8H)-
DIONE		A2E140.73
ANN4-METHOXYBENZOIC ACIDA2B960.7
ANN4-METHOXYBENZOIC ACIDA2QUE0.7
ANN4-METHOXYBENZOIC ACIDA1SV30.7
ANN4-METHOXYBENZOIC ACIDA1O2E0.7
ANN4-METHOXYBENZOIC ACIDA,B,C,D3CBI0.7
POD9-HYDROXY-5-(3,4,5-TRIMETHOXYPHENYL)-
5,8,8A,9-TETRAHYDROFURO[3',4':6,7]NAPHTHO[2,3-
D][1,3]DIOXOL-6(5AH)-ONE		A,B,C,D1SA10.71
CIOCILOMILASTA,B1XOM0.7
CIOCILOMILASTA,B1XLX0.7
VII2,5-DIPHENYLFURAN-3,4-DICARBOXYLIC ACIDA,B2GFK0.72
FUX5-HYDROXYMETHYL-FURFURALA,B,C,D1QXE0.7
MOFMOMETASONE FUROATEA,B1SR70.85
GW6(6alpha,11alpha,14beta,16alpha,17alpha)-
6,9-difluoro-17-{[(fluoromethyl)sulfanyl]carbonyl}-
11-hydroxy-16-methyl-3-oxoandrosta-
1,4-dien-17-yl furan-2-carboxylate		A,B3CLD0.85
A045-[2-(TRIFLUOROMETHOXY)PHENYL]-
2-FUROIC ACID		A2Q940.74
MAXMATAIRESINOLA2BGM0.7
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B1FHY0.74
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB204D0.74
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA,B2B2B0.74
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENB1FHZ0.74
PSO4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALENA203D0.74
STGESTRIOL 3-(B-D-GLUCURONIDE)H2BFV0.75
STGESTRIOL 3-(B-D-GLUCURONIDE)H,L1BFV0.75
7CA5,7-DIHYDROXY-2-(4-METHOXYPHENYL)-
8-(3-METHYLBUTYL)-4-OXO-4H-CHROMEN-
3-YL 6-DEOXY-ALPHA-L-MANNOPYRANOSIDE		A2H440.71
8MOMETHOXSALENA,B,C,D1Z110.73
AI73-(heptyloxy)benzoic acidA,B2O3Z0.72
VNL4-HYDROXY-3-METHOXYBENZOATEA,B,C,D2AHC0.71
VNL4-HYDROXY-3-METHOXYBENZOATEA1XLR0.71
NOM7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-
1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-
2,6,11-TRIONE		A1N5V0.73
GRR(2S)-2-(4-ethylphenoxy)-3-phenylpropanoic acidA3CDS0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3B3K0.72
LRG(2S)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acidA3D6D0.72
SIGSTIGMATELLINC,D,E2BCC0.7
SIGSTIGMATELLINC,D,E3BCC0.7
MOAMYCOPHENOLIC ACIDA1ME70.71
MOAMYCOPHENOLIC ACIDA,B1JR10.71
MOAMYCOPHENOLIC ACIDA1MEI0.71
MOAMYCOPHENOLIC ACIDA1MEH0.71
CA2(1S,3R,4R,5S)-1,3,4-TRIHYDROXY-
5-(3-PHENOXYPROPYL)CYCLOHEXANECARBOXYLIC ACID		A,B,C,D,E,F,
G,H,I,J,K,L		2BT40.78
A185-(2-CHLOROBENZYL)-2-FUROIC ACIDA2Q960.74