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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01467518

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
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.72
BH1BACTERIOPHEOPHYTINA,B2BNS0.72
BH1BACTERIOPHEOPHYTINA,B2BNP0.72
CLI3-(2-CARBOXY-ETHYL)-4,6-DICHLORO-
1H-INDOLE-2-CARBOXYLIC ACID
A,F1LEV0.7
7HI(3R,5R)-7-[3-(biphenyl-4-ylcarbamoyl)-
2-ethyl-5,6,7,8-tetrahydrocyclohepta[b]pyrrol-
1(4H)-yl]-3,5-dihydroxyheptanoic acid
A,B,C,D3CD50.7
DSI4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-
8-METHYL-3,6,7,8-TETRAHYDRO-3,6-
DIAZA-AS-INDACENE-2-CARBOXYLIC ACID METHYL ESTER
B1DSI0.71
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1RDT0.71
5702-(2-BENZOYL-PHENYLAMINO)-3-{4-
[2-(5-METHYL-2-PHENYL-OXAZOL-4-
YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1FM90.71
RXB(1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-
1,2,3,4-tetrahydroisoquinolin-5-
yl)amino]ethyl acetate
A,B,C,D3DEI0.74
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
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE
A,B1FGI0.7
CMM2-[2-(1-CARBAMIMIDOYL-PIPERIDIN-
3-YL)-ACETYLAMINO]-3-{4-[2-(3-OXALYL-
1H-INDOL-7-YL)ETHYL]-PHENYL}-PROPIONIC ACID METHYL ESTER
A,B1M490.7
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.73
225FELODIPINEA2NNJ0.72
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBO0.75
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE
A,B,C,D1H690.71
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL
H,I1AIX0.71
MOCCARBAMIC ACID 2,6-DIAMINO-5-METHYL-
4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-
3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER
A199D0.71
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.74
1IQ2-(4-ISOPROPYL-4-METHYL-5-OXO-4,5-
DIHYDRO-1H-IMIDAZOL-2-YL)QUINOLINE-
3-CARBOXYLIC ACID
A1Z8N0.71
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.78
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.78
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.78
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.78
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.78
PQQPYRROLOQUINOLINE QUINONEA1KV90.78
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.78
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.78
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.78
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.78
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.78
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.78
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.78
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.78
PQQPYRROLOQUINOLINE QUINONEA1KB00.78
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.78
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.78
PQQPYRROLOQUINOLINE QUINONEA,C1G720.78
GW4N-[(2S)-2-[(2-BENZOYLPHENYL)AMINO]-
3-{4-[2-(5-METHYL-2-PHENYL-1,3-
OXAZOL-4-YL)ETHOXY]PHENYL}PROPYL]ACETAMIDE
A,B2POB0.71
9365-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBQ0.74
5442-(1-METHYL-3-OXO-3-PHENYL-PROPYLAMINO)-
3-{4-[2-(5-METHYL-2-PHENYL-OXAZOL-
4-YL)-ETHOXY]-PHENYL}-PROPIONIC ACID
A,D1K740.71
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,G1K7L0.71
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
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A1C8L0.72
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A2AMV0.72
BIN2,3-DICARBOXY-4-(2-CHLORO-PHENYL)-
1-ETHYL-5-ISOPROPOXYCARBONYL-6-
METHYL-PYRIDINIUM
A3AMV0.72
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,D3DEJ0.71
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z
3A0H0.73
PHOPHEOPHYTIN AZ1W5C0.73
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.73
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.73
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.73
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W
1IZL0.73
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V
1S5L0.73
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1ILX0.73
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1FE10.73
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.73
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.74