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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01345032

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.73
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.73
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.73
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.73
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.73
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.73
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.73
5442-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-
3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-
4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1K740.7
5442-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-
3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-
4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,C,E,G1K7L0.7
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.76
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.71
JTPN-[(13-CYCLOHEXYL-6,7-DIHYDROINDOLO[1,2-
D][1,4]BENZOXAZEPIN-10-YL)CARBONYL]-
2-METHYL-L-ALANINE
A,B2DXS0.72
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.71
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.73
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
1PYH0.73
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.73
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.73
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.73
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.73
BPHBACTERIOPHEOPHYTIN AL,M1YF60.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.73
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.73
BPHBACTERIOPHEOPHYTIN AC1E140.73
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.73
BPHBACTERIOPHEOPHYTIN AL,M1PST0.73
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.73
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.73
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.73
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.73
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.73
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.73
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.73
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.73
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.73
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.73
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.73
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.73
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.73
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.73
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.73
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.73
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.73
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.73
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.73
BPHBACTERIOPHEOPHYTIN AC1E6D0.73
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.73
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.73
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.73
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.73
BPHBACTERIOPHEOPHYTIN AL,M1JH00.73
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.73
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.73
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.73
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.73
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.73
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.73
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.73
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.73
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.73
BPHBACTERIOPHEOPHYTIN AL,M1YST0.73
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.73
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.73
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.73
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
C2JQ70.72
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
B1OLN0.72
QUA8-HYDROXY-4-(1-HYDROXYETHYL)QUINOLINE-
2-CARBOXYLIC ACID
A1E9W0.72
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.72
550methyl (1R,2S)-2-(hydroxycarbamoyl)-
1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate
A,B3EDZ0.71
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.7
BH1BACTERIOPHEOPHYTINA,B2BNS0.7
BH1BACTERIOPHEOPHYTINA,B2BNP0.7
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.75
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE
A,B,C,D1H690.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.72
541(2R)-N-HYDROXY-2-[(3S)-3-METHYL-
3-{4-[(2-METHYLQUINOLIN-4-YL)METHOXY]PHENYL}-
2-OXOPYRROLIDIN-1-YL]PROPANAMIDE
A,B2FV50.7
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A1C8L0.71
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A2AMV0.71
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A3AMV0.71
RXC(1S)-1-(3-chlorophenyl)-2-oxo-2-
[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-
5-yl)amino]ethyl acetate
A,B,C,D3DEJ0.72
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid
A3FR50.72
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide
A3D0B0.71
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
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.71
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.74
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.82
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.82
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.82
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.82
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.82
PQQPYRROLOQUINOLINE QUINONEA1KV90.82
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.82
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.82
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.82
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.82
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.82
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.82
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.82
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.82
PQQPYRROLOQUINOLINE QUINONEA1KB00.82
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.82
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.82
PQQPYRROLOQUINOLINE QUINONEA,C1G720.82
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBO0.71
QNDQUINALDIC ACIDA,B1IDA0.75
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1RDT0.72
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1FM90.72
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.7
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER
A,B1M490.71
BRFA1UUO0.71
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.74
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.72
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID
A1D3G0.72
IQZ(12bS)-1,2,3,4,12,12b-hexahydroindolo[2,3-
a]quinolizin-7(6H)-one
A1S1J0.71
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate
A,B,C,D3DEI0.76
3CS3-[3-(3,3-DIMETHYLBUTANOYL)-1-(4-
IODOBENZYL)-5-(QUINOLIN-2-YLMETHOXY)-
1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID
A,B,C,D,E,F2Q7R0.72
225FELODIPINEA2NNJ0.71
9365-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBQ0.7