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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01973885

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
NCK3,6-Bis[3-(4-methylpiperidino)propionamido]acridineA,B3ES00.71
6IN4-(1-BENZYL-3-CARBAMOYLMETHYL-2-
METHYL-1H-INDOL-5-YLOXY)-BUTYRIC ACID		A1DB50.7
BRE2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-
QUINOLINE-4-CARBOXYLIC ACID		A1D3G0.8
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN20.79
8AD9-AMINO-(N-(2-DIMETHYLAMINO)BUTYL)ACRIDINE-
4-CARBOXAMIDE		A,B1FN10.79
DRC9-AMINO-N-[2-(4-MORPHOLINYL)ETHYL]-
4-ACRIDINECARBOXAMIDE		A1KCI0.76
PYN3-PYRROLIDIN-1-YL-N-[6-(3-PYRROLIDIN-
1-YL-PROPIONYLAMINO)-ACRIDIN-3-
YL]-PROPIONAMIDE		A,B1L1H0.71
NCJ3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridineA,B3ERU0.71
THATACRINEA,B2AOW0.71
THATACRINEA,B,C,D,E,F1MX10.71
THATACRINEA,B2AOX0.71
THATACRINEA1ACJ0.71
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGF0.73
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID		A,B1PGG0.73
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.73
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}		A2GWA0.74
A4C9,9'-(HEXANE-1,6-DIYLDIIMINO)BIS{N-
[2-(DIMETHYLAMINO)ETHYL]ACRIDINE-
4-CARBOXAMIDE}		A,B2GB90.74
IMNINDOMETHACINA2BXM0.7
IMNINDOMETHACINA3FO70.7
IMNINDOMETHACINA,B,C,D1Z9H0.7
IMNINDOMETHACINA2BXQ0.7
IMNINDOMETHACINA,B,C,D4COX0.7
IMNINDOMETHACINA2ALT0.7
IMNINDOMETHACINA2OTH0.7
IMNINDOMETHACINA,B2DM60.7
IMNINDOMETHACINA1S2A0.7
IMNINDOMETHACINA2ZB80.7
IMNINDOMETHACINA3HWZ0.7
IMNINDOMETHACINA2BXK0.7
35AN-[(5R,14R)-5-AMINO-5,14-DIMETHYL-
4-OXO-3-OXA-18-AZATRICYCLO[15.3.1.1~7,11~]DOCOSA-
1(21),7(22),8,10,17,19-HEXAEN-19-
YL]-N-METHYLMETHANESULFONAMIDE		A2PH80.7
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.72
1SMMETHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-
2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE		A,B1T9C0.71
1SMMETHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-
2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE		A1YI00.71
225FELODIPINEA2NNJ0.73
I4A5-(3-carbamoylbenzyl)-5,6,7,8,9,10-
hexahydrocyclohepta[b]indole-4-
carboxylic acid		A3FR50.74
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B,C,D3EUI0.7
NCI3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridineA,B3EQW0.7
615(1R,2S)-N~2~-hydroxy-1-{4-[(2-phenylquinolin-
4-yl)methoxy]benzyl}cyclopropane-
1,2-dicarboxamide		A,B3E8R0.71
7AD9-AMINO-N-[3-(DIMETHYLAMINO)PROPYL]ACRIDINE-
4-CARBOXAMIDE		A,B1RQY0.79
ZAM3-[(ACETYL-METHYL-AMINO)-METHYL]-
4-AMINO-N-METHYL-N-(1-METHYL-1H-
INDOL-2-YLMETHYL)-BENZAMIDE		A,B1LX60.71
7609-(3-PHENYLMETHYLAMINO)-1,2,3,4-
TETRAHYDROACRIDINE		A1DX40.71
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.7
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.7
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.7
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.7
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.7
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.7
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.7
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.7
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID		A2AYW0.75
MM0N,N'-(dibenzo[b,j][1,7]phenanthroline-
2,10-diyldimethanediyl)dipropan-
1-amine		B2JWQ0.7
LG26-[1-(3,5,5,8,8-PENTAMETHYL-5,6,7,8-
TETRAHYDRONAPHTHALEN-2-YL)CYCLOPROPYL]PYRIDINE-
3-CARBOXYLIC ACID		A,B,C,D1H9U0.75
BI54-PHENOXY-N-(PYRIDIN-2-YLMETHYL)BENZAMIDEA1ZYJ0.7
BDCBIS-(9-OCTYLAMINO(2-DIMETHYLAMINOETHYL)ACRIDINE-
4-CARBOXAMIDE		A,B1K2L0.74
SN61-METHYL-4-[4-[4-(4-(1-METHYLQUINOLINIUM)AMINO)BENZAMIDO]ANILINO]PYRIDINIUMA,B144D0.74
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL		H,I1AIX0.71
DA75-FLUORO-9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A1DL80.75
NCQ3,6-Bis[3-(azepan-1-yl)propionamido]acridineA,B3EUM0.71
DAX5-BROMO-N[2-(DIMETHYLAMINO)ETHYL]-
9-AMINOACRIDINE-4-CARBOXAMIDE		A1M690.71
QNC2-CARBONYLQUINOLINEA,B1MTB0.72
QNC2-CARBONYLQUINOLINEA,B2FGV0.72
QNC2-CARBONYLQUINOLINEI1IVQ0.72
QNC2-CARBONYLQUINOLINEA,B2FGU0.72
QNC2-CARBONYLQUINOLINEA1JLD0.72
QNC2-CARBONYLQUINOLINEA,B1HXB0.72
NCE3,6-Bis[(3-morpholinopropionamido)] acridineA,B3EM20.7
PRLPROFLAVINH,I1BCU0.72
PRLPROFLAVINA,B,D,E1QVT0.72
PRLPROFLAVINA,B2KD40.72
PRLPROFLAVINA1QVU0.72
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.74
SNX2-[(2-methoxyethyl)amino]-4-(4-
oxo-1,2,3,4-tetrahydro-9H-carbazol-
9-yl)benzamide		A3D0B0.71
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.7
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		1PYH0.7
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.7
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.7
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.7
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.7
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.7
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.7
BPHBACTERIOPHEOPHYTIN AL,M1YF60.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.7
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.7
BPHBACTERIOPHEOPHYTIN AC1E140.7
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.7
BPHBACTERIOPHEOPHYTIN AL,M1PST0.7
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.7
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.7
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.7
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.7
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.7
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.7
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.7
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.7
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.7
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.7
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.7
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.7
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.7
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.7
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.7
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.7
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.7
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.7
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.7
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.7
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.7
BPHBACTERIOPHEOPHYTIN AC1E6D0.7
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.7
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.7
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.7
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.7
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.7
BPHBACTERIOPHEOPHYTIN AL,M1JH00.7
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.7
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.7
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.7
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.7
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.7
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.7
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.7
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.7
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.7
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.7
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.7
BPHBACTERIOPHEOPHYTIN AL,M1YST0.7
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.7
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.7
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.7
FXVMETHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-
3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE		A1KSN0.7
642(1S,3R,6S)-4-oxo-6-{4-[(2-phenylquinolin-
4-yl)methoxy]phenyl}-5-azaspiro[2.4]heptane-
1-carboxylic acid		A,B3EWJ0.71
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A465D0.78
9AD9-AMINO-(N-(2-DIMETHYLAMINO)ETHYL)ACRIDINE-
4-CARBOXAMIDE		A452D0.78
9AC9-ACRIDINECARBONYLA,B,G,J,K,L,M1G3X0.75
NHR2-{4-[2-(2-AMINO-4-HYDROXY-QUINAZOLIN-
6-YL)-1-CARBOXY-ETHYL]-BENZOYLAMINO}-
PENTANEDIOIC ACID		A,B1C3E0.71
QUNQUINACRINEA,B1JQE0.71
DA66-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-
4-CARBOXAMIDE		A366D0.73
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID		A,B1OXL0.72
NC53-[(2R)-2-ethylpiperidin-1-yl]-
N-[6-({3-[(2S)-2-ethylpiperidin-
1-yl]propanoyl}amino)acridin-3-
yl]propanamide		A,B,C,D3EUI0.7
1167-[4-(4-FLUORO-PHENYL)-5-HYDROXYMETHYL-
2,6-DIISOPROPYL-PYRIDIN-3-YL]-3,5-
DIHYDROXY-HEPTANOIC ACID		A,B,C,D1HWJ0.71
T985-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-
2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-
1H-PYRROLE-2-CARBONITRILE		A,B1ZUC0.72
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER		B1LPK0.78
RHQRHODAMINE 6GA,B,D,E1JUS0.72
RHQRHODAMINE 6GA,B,D,E3BR50.72
RHQRHODAMINE 6GA,D,E3BR60.72
RHQRHODAMINE 6GA,B3D6Z0.72
RHQRHODAMINE 6GA1OY80.72
RHQRHODAMINE 6GA1T9V0.72
POO3-CYCLOHEXYL-1-(2-{METHYL[(1-METHYLPIPERIDIN-
3-YL)METHYL]AMINO}-2-OXOETHYL)-
2-PHENYL-1H-INDOLE-6-CARBOXYLIC ACID		A2BRL0.71
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid		A3FR20.72
DA55-BROMO-9-AMINO-N-ETHYL(DIAMINOMETHYL)ACRIDINE-
4-CARBOXAMIDE		A,B367D0.71
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE		A,B2BQ70.72
P10[1-(3-HYDROXY-2-OXO-1-PHENETHYL-
PROPYLCARBAMOYL)2-PHENYL-ETHYL]-
CARBAMIC ACID PYRIDIN-4-YLMETHYL ESTER		A1ME30.7
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z		3A0H0.7
PHOPHEOPHYTIN AZ1W5C0.7
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X		2AXT0.7
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z		3A0B0.7
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z		3BZ10.7
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W		1IZL0.7
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V		1S5L0.7
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R		1ILX0.7
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R		1FE10.7
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z		3BZ20.7
BMSA,B1DKF0.81
IQA(5-OXO-5,6-DIHYDRO-INDOLO[1,2-A]QUINAZOLIN-
7-YL)-ACETIC ACID		A1OM10.73
NCL3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridineA,B3ET80.71
238A2PRH0.75
4PPC,L1XKA0.74
4PPA,B,C,D1XKB0.74
BRFA1UUO0.79
SN74-[4-[2-AMINO-4-[4,6-(N-METHYLQUINOLINIUM)AMINO]BENZAMIDO]ANILINO]-
N-METHYLPYRIDINIUM MESYLATE		A328D0.72
FBQ1-[3-({[(4-AMINO-5-FLUORO-2-METHYLQUINOLIN-
3-YL)METHYL]THIO}METHYL)PHENYL]-
2,2,2-TRIFLUOROETHANE-1,1-DIOL		A1HBJ0.74
QNDQUINALDIC ACIDA,B1IDA0.78
550methyl (1R,2S)-2-(hydroxycarbamoyl)-
1-{4-[(2-methylquinolin-4-yl)methoxy]benzyl}cyclopropanecarboxylate		A,B3EDZ0.75
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID		A1Z8N0.78
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.71
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.71
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.71
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.71
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.71
PQQPYRROLOQUINOLINE QUINONEA1KV90.71
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.71
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.71
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.71
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.71
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.71
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.71
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.71
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.71
PQQPYRROLOQUINOLINE QUINONEA1KB00.71
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.71
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.71
PQQPYRROLOQUINOLINE QUINONEA,C1G720.71
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYN0.72
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A,B2QYK0.72
NPV4-[8-(3-nitrophenyl)-1,7-naphthyridin-
6-yl]benzoic acid		A2QYL0.72
I3N1-BENZYL-5-METHOXY-2-METHYL-1H-
INDOL-3-YL)-ACETIC ACID		A1DCY0.71