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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02472486

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
HE66,7-DICARBOXYL-1,2,3,4,5,8-HEXAMETHYLHEMINA1IOP0.72
BLVBILIVERDIN IX GAMMA CHROMOPHOREA1Z240.72
BLVBILIVERDIN IX GAMMA CHROMOPHOREA,B,C,D1BBP0.72
FIC5-fluoroindole-2-carboxylic acidA,B3DWS0.7
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide
A,B3G0F0.7
B49N-[2-(diethylamino)ethyl]-5-[(Z)-
(5-fluoro-2-oxo-1,2-dihydro-3H-
indol-3-ylidene)methyl]-2,4-dimethyl-
1H-pyrrole-3-carboxamide
A3G0E0.7
1CPCOPROPORPHYRIN IA1R3S0.74
1CPCOPROPORPHYRIN IA1R3V0.74
1CPCOPROPORPHYRIN IA1R3Q0.74
CRR3,4-DI-1H-INDOL-3-YL-1H-PYRROLE-
2,5-DICARBOXYLIC ACID
A2Z3U0.71
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.74
BLABILIVERDINE IX ALPHAA1HE20.74
BLABILIVERDINE IX ALPHAA1ZTU0.74
BLABILIVERDINE IX ALPHAA2D1E0.74
BLABILIVERDINE IX ALPHAA,B2C7J0.74
BLABILIVERDINE IX ALPHAA,B,K,L1EYX0.74
BLABILIVERDINE IX ALPHAA1BVC0.74
BLABILIVERDINE IX ALPHAA,B1KTP0.74
BLABILIVERDINE IX ALPHAA,B2C7K0.74
BLABILIVERDINE IX ALPHAA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
2UUL0.74
BLABILIVERDINE IX ALPHAA1S8C0.74
BLABILIVERDINE IX ALPHAA,B,C,D,E,F,
G,H
3C2W0.74
BLABILIVERDINE IX ALPHAA,B2C7L0.74
BLABILIVERDINE IX ALPHAA,B,C,D2VGR0.74
BLABILIVERDINE IX ALPHAA1J2C0.74
BLABILIVERDINE IX ALPHAA,B3BRP0.74
BLABILIVERDINE IX ALPHAA1BVD0.74
BLABILIVERDINE IX ALPHAA,B,K,L,M,N1F990.74
BLABILIVERDINE IX ALPHAA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
2UUM0.74
BLABILIVERDINE IX ALPHAA,B2VUE0.74
BLABILIVERDINE IX ALPHAA,B,C,D,E,F,
H,I,J,K,L,M
1B330.74
BLABILIVERDINE IX ALPHAA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
2UUN0.74
BLABILIVERDINE IX ALPHAA,B,C,D2VCK0.74
CYCPHYCOCYANOBILINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1GH00.76
CYCPHYCOCYANOBILINA,B2VJR0.76
CYCPHYCOCYANOBILINA,B,K,L,M,N1F990.76
CYCPHYCOCYANOBILINA,B,C,D,E,F,
H,I,J,K,L,M
1B330.76
CYCPHYCOCYANOBILINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
2UUM0.76
CYCPHYCOCYANOBILINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
2UUN0.76
CYCPHYCOCYANOBILINA,B2C7L0.76
CYCPHYCOCYANOBILINA,B,K,L1CPC0.76
CYCPHYCOCYANOBILINA,B1JBO0.76
CYCPHYCOCYANOBILINA,B1I7Y0.76
CYCPHYCOCYANOBILINA,B1ON70.76
CYCPHYCOCYANOBILINA,B,K,L1EYX0.76
CYCPHYCOCYANOBILINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
1HA70.76
CYCPHYCOCYANOBILINA,B1ALL0.76
CYCPHYCOCYANOBILINA,B1KTP0.76
CYCPHYCOCYANOBILINA,B2C7K0.76
CYCPHYCOCYANOBILINA,B,C,D,E,F,
G,H,I,J,K,L,
M,N,O,P,Q,R,
S,T,U,V,W,X
2UUL0.76
CYCPHYCOCYANOBILINA2VEA0.76
CYCPHYCOCYANOBILINA,B,C,D,E,F,
G,H,I,J,K,L
2VML0.76
CYCPHYCOCYANOBILINA2K2N0.76
CYCPHYCOCYANOBILINA,B2VJT0.76
CYCPHYCOCYANOBILINA,B1PHN0.76
CYCPHYCOCYANOBILINA,B,C,D,E,F,
G,H
3DBJ0.76
CYCPHYCOCYANOBILINA,B2G9M0.76
CYCPHYCOCYANOBILINA,B1KN10.76
CYCPHYCOCYANOBILINA,B,K,L1LIA0.76
CYCPHYCOCYANOBILINA,B,C,D,E,F,
K,L,M,N,O,P
2BV80.76
CYCPHYCOCYANOBILINA,B2C7J0.76
CYCPHYCOCYANOBILINA,B2V8A0.76
LBVA2O9B0.76
LBVA,B2OOL0.76
LBVA2O9C0.76
BH1BACTERIOPHEOPHYTINH,L,M2BOZ0.75
BH1BACTERIOPHEOPHYTINA,B2BNS0.75
BH1BACTERIOPHEOPHYTINA,B2BNP0.75
8CA9-benzyl-2,3,4,9-tetrahydro-1H-
carbazole-8-carboxylic acid
A3FR20.7
H02N-METHYL PROTOPORPHYRIN IX 2,4-
DISULFONIC ACID
A2Q3J0.74
DBV15,16-DIHYDROBILIVERDINA,B,C,D1XF60.72
DBV15,16-DIHYDROBILIVERDINA,B,C,D1QGW0.72
DBV15,16-DIHYDROBILIVERDINA,B,C,D1XG00.72
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.79
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.79
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
1PYH0.79
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.79
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.79
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.79
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.79
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.79
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.79
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.79
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.79
BPHBACTERIOPHEOPHYTIN AL,M1YF60.79
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.79
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.79
BPHBACTERIOPHEOPHYTIN AC1E140.79
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.79
BPHBACTERIOPHEOPHYTIN AL,M1PST0.79
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.79
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.79
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.79
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.79
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.79
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.79
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.79
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.79
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.79
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.79
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.79
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.79
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.79
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.79
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.79
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.79
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.79
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.79
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.79
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.79
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.79
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.79
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.79
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.79
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.79
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.79
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.79
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.79
BPHBACTERIOPHEOPHYTIN AC1E6D0.79
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.79
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.79
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.79
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.79
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.79
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.79
BPHBACTERIOPHEOPHYTIN AL,M1JH00.79
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.79
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.79
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.79
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.79
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.79
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.79
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.79
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.79
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.79
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.79
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.79
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.79
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.79
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.79
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.79
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.79
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.79
BPHBACTERIOPHEOPHYTIN AL,M1YST0.79
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.79
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.79
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.79
DDH[7,12-DEACETYL-3,8,13,17-TETRAMETHYL-
21H,23H-PORPHINE-2,18-DIPROPANOATO(2-
)-N21,N22,N23,N24]-IRON
A,B,C,D1B860.73
DDH[7,12-DEACETYL-3,8,13,17-TETRAMETHYL-
21H,23H-PORPHINE-2,18-DIPROPANOATO(2-
)-N21,N22,N23,N24]-IRON
A1BJ90.73
HKLFe(III) pyropheophorbide-a methyl esterA3BA20.7
CP3COPROPORPHYRIN IIIA1R3T0.74
CP3COPROPORPHYRIN IIIA1R3W0.74
CP3COPROPORPHYRIN IIIA1R3Y0.74
CP3COPROPORPHYRIN IIIA2Q710.74
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.79
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.79
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.79
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.79
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.79
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.79
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.79
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.79
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.79
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.79
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.79
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.79
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.79
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.79
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.79
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.79
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.79
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.79