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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01898220

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
FXN5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-
(2-MERCAPTO-ETHYL)-AMIDE
A,B1SHL0.72
PDS3-{1-[3-(DIMETHYLAMINO)PROPYL]-
2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-
1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
A,B2I0E0.7
2MI2-METHYL-1H-INDOLEA2PIO0.7
IAVN-[1H-INDOL-3-YL-ACETYL]VALINE ACIDA,B1K7F0.74
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.71
DRK3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-
1H,2'H-2,3'-biindol-2'-one
A3F3Z0.71
DRK3-({[(3S)-3,4-dihydroxybutyl]oxy}amino)-
1H,2'H-2,3'-biindol-2'-one
A,C3EB00.71
ITRIMINO-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.72
CZA(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-
7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-
11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-
CD]INDOL-11-ONE
A2OA00.71
CZA(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-
7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-
11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-
CD]INDOL-11-ONE
A3FPS0.71
CZA(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-
7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-
11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-
CD]INDOL-11-ONE
A3FPB0.71
CZA(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-
7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-
11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-
CD]INDOL-11-ONE
A2EAT0.71
CZA(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-
7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-
11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-
CD]INDOL-11-ONE
A2O9J0.71
CZA(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-
7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-
11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-
CD]INDOL-11-ONE
A2EAS0.71
CZA(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-
7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-
11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-
CD]INDOL-11-ONE
A2EAU0.71
CZA(6AR,11AS,11BR)-10-ACETYL-9-HYDROXY-
7,7-DIMETHYL-2,6,6A,7,11A,11B-HEXAHYDRO-
11H-PYRROLO[1',2':2,3]ISOINDOLO[4,5,6-
CD]INDOL-11-ONE
A,B3FGO0.71
LTNL-TRYPTOPHANAMIDEA1MAU0.71
LTNL-TRYPTOPHANAMIDEA,B2QUI0.71
DTRD-TRYPTOPHANA,B,C,D2R3C0.72
DTRD-TRYPTOPHANA1XY80.72
DTRD-TRYPTOPHANA,B,C,H,K,L2R5D0.72
DTRD-TRYPTOPHANA2V7K0.72
DTRD-TRYPTOPHANA,D1CZQ0.72
DTRD-TRYPTOPHANA1DFY0.72
DTRD-TRYPTOPHANA1XY50.72
DTRD-TRYPTOPHANA1NXN0.72
DTRD-TRYPTOPHANA1TKF0.72
DTRD-TRYPTOPHANA1YL90.72
DTRD-TRYPTOPHANA1XXZ0.72
DTRD-TRYPTOPHANA1XY40.72
DTRD-TRYPTOPHANA,D2Q3I0.72
DTRD-TRYPTOPHANA1QFB0.72
DTRD-TRYPTOPHANA1DFZ0.72
DTRD-TRYPTOPHANA1XY90.72
DTRD-TRYPTOPHANA1XY60.72
DTRD-TRYPTOPHANA2SOC0.72
DTRD-TRYPTOPHANA2JUE0.72
DTRD-TRYPTOPHANA1SOC0.72
DTRD-TRYPTOPHANA1YL80.72
DTRD-TRYPTOPHANA,B,C,D,E,F,
G,H
1DDO0.72
DTRD-TRYPTOPHANA,B2Q330.72
DTRD-TRYPTOPHANA1DG00.72
DTRD-TRYPTOPHANA,B,C,H,K,L2R5B0.72
IADN-[1H-INDOL-3-YL-ACETYL]ASPARTIC ACIDA,B1K3U0.72
TRO2-HYDROXY-TRYPTOPHANA1KB00.71
TRO2-HYDROXY-TRYPTOPHANA1G3P0.71
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.77
TUO2-(hydrazinocarbonyl)-3-phenyl-
1H-indole-5-sulfonamide
A3B4F0.7
KAWN-{(5S)-4,4-dihydroxy-6-phenyl-
5-[(phenylcarbonyl)amino]hexanoyl}-
L-tryptophan
A3BKL0.71
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.7
BH1BACTERIOPHEOPHYTINA,B2BNS0.7
BH1BACTERIOPHEOPHYTINA,B2BNP0.7
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K8Z0.75
IAGN-[1H-INDOL-3-YL-ACETYL]GLYCINE ACIDA,B1K7E0.75
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.72
BPHBACTERIOPHEOPHYTIN A1,2,3,5,6,7,
8,A,B,D,E,F,
G,H,I,J,K,L,
M,N,P,R,S,T,
U,V,W,Y
1PYH0.72
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.72
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.72
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.72
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.72
BPHBACTERIOPHEOPHYTIN AL,M1YF60.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.72
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.72
BPHBACTERIOPHEOPHYTIN AC1E140.72
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.72
BPHBACTERIOPHEOPHYTIN AL,M1PST0.72
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.72
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.72
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.72
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.72
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.72
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.72
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.72
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.72
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.72
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.72
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.72
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.72
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.72
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.72
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.72
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.72
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.72
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.72
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.72
BPHBACTERIOPHEOPHYTIN AC1E6D0.72
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.72
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.72
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.72
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.72
BPHBACTERIOPHEOPHYTIN AL,M1JH00.72
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.72
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.72
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.72
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.72
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.72
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.72
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.72
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.72
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.72
BPHBACTERIOPHEOPHYTIN AL,M1YST0.72
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.72
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.72
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.72
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.72
2S3(2S)-2-(1H-indol-3-yl)pentanoic acidB3C6P0.73
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one
A1S1J0.72
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.72
4IN4-AMINO-L-TRYPTOPHANA,B2HXX0.71
4IN4-AMINO-L-TRYPTOPHANA1OXF0.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.72
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.72
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.72
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.72
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.72
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.72
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.72
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.72
CP4BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-
AMINOETHYL]-ETHYLENE GLYCOL
A,B1EM60.71
IAC1H-INDOL-3-YLACETIC ACIDB2P1Q0.72
IAC1H-INDOL-3-YLACETIC ACIDA2OYF0.72
IAC1H-INDOL-3-YLACETIC ACIDA,B3FVU0.72
IAC1H-INDOL-3-YLACETIC ACIDB2P1P0.72
2885-CHLORO-1H-INDOLE-2-CARBOXYLIC ACID{[CYCLOPENTYL-
(2-HYDROXY-ETHYL)-CARBAMOYL]-METHYL}-
AMIDE
A,B1XOI0.73
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.74
FT66-FLUORO-L-TRYPTOPHANA,B2NW90.71
TCRCYCLOMETHYLTRYPTOPHANA3AIG0.73
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDA,B,C,D1XES0.76
3IO3-(1H-INDOL-3-YL)-2-OXOPROPANOIC ACIDB,C,D1XET0.76
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide
A,B2ZB20.71
I3A1H-INDOLE-3-CARBALDEHYDEA,B,C,D3BWL0.72
I3A1H-INDOLE-3-CARBALDEHYDEA,B2OU30.72
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z
3A0H0.72
PHOPHEOPHYTIN AZ1W5C0.72
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.72
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.72
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.72
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W
1IZL0.72
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V
1S5L0.72
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1ILX0.72
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1FE10.72
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.72
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L5Q0.7
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1EXV0.7
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L5S0.7
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L7X0.7
700[5-CHLORO-1H-INDOL-2-CARBONYL-PHENYLALANINYL]-
AZETIDINE-3-CARBOXYLIC ACID
A,B1L5R0.7
HTRBETA-HYDROXYTRYPTOPHANEA,B1QPA0.7
HTRBETA-HYDROXYTRYPTOPHANEA,B1B800.7
HTRBETA-HYDROXYTRYPTOPHANEA1ROV0.7
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.71
VAW(2S,3R,4S)-methyl 4-(2-(2-(1H-indol-
3-yl)ethylamino)ethyl)-2-((2S,3R,4S,5S,6R)-
3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-
2H-pyran-2-yloxy)-3-vinyl-3,4-dihydro-
2H-pyran-5-carboxylate
A,B2VAQ0.71
4FW4-FLUOROTRYPTOPHANEA1RM90.71
IOPINDOLYLPROPIONIC ACIDA,B1AHF0.73
IOPINDOLYLPROPIONIC ACIDA2OLI0.73
IOPINDOLYLPROPIONIC ACIDA,B2AY50.73
ET03-(5-methoxy-1H-indol-3-yl)propanoic acidA,B3ET00.71
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.72
FTRFLUOROTRYPTOPHANEA2JT80.71
FTRFLUOROTRYPTOPHANEA,B1NF00.71
FTRFLUOROTRYPTOPHANEA2JTZ0.71
FTRFLUOROTRYPTOPHANEA,B1I450.71
FTRFLUOROTRYPTOPHANEA,B2ZNX0.71
FTRFLUOROTRYPTOPHANEA,B1NEY0.71
FTRFLUOROTRYPTOPHANEA,B5FWG0.71
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.72
TSR2-(1H-INDOL-3-YL)ACETAMIDED,H2OJY0.72
TSR2-(1H-INDOL-3-YL)ACETAMIDEA,D,H2OIZ0.72
2S2(2S)-2-(1H-indol-3-yl)hexanoic acidB3C6O0.72
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.72
PATALPHA-PHOSPHONO-TRYPTOPHANA,B1I730.71
S55METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-
D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-
TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-
3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE
A,B2JF60.72
S55METHYL (2S,3R,4S)-3-ETHYL-2-(BETA-
D-GLUCOPYRANOSYLOXY)-4-[(1S)-2,3,4,9-
TETRAHYDRO-1H-BETA-CARBOLIN-1-YLMETHYL]-
3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE
A,B2V910.72
3IB3-INDOLEBUTYRIC ACIDA,B2AY60.73
3IB3-INDOLEBUTYRIC ACIDA,B,C,E2GJ60.73
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.73
TTR9-ACETYL-2,3,4,9-TETRAHYDRO-1H-
CARBAZOL-1-ONE
A2D820.77
3IL3-(INDOL-3-YL) LACTATEA2A7P0.74