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Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs01628108

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


LigandLigand nameChainPDBTanimotoLigand in PDB
LigandLigand nameChainPDBTanimotoLigand in PDB
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
BPHBACTERIOPHEOPHYTIN AH,L,M1RG50.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UWT0.74
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
1PYH0.74
BPHBACTERIOPHEOPHYTIN AA,B,C1Z9K0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UXK0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1RY50.74
BPHBACTERIOPHEOPHYTIN AH,L,M1RZH0.74
BPHBACTERIOPHEOPHYTIN AC,H,L,M1EYS0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UWS0.74
BPHBACTERIOPHEOPHYTIN AL,M4RCR0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1K6N0.74
BPHBACTERIOPHEOPHYTIN AL,M1YF60.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UX50.74
BPHBACTERIOPHEOPHYTIN AH,L,M3DTS0.74
BPHBACTERIOPHEOPHYTIN AC1E140.74
BPHBACTERIOPHEOPHYTIN AH,L,M3DTA0.74
BPHBACTERIOPHEOPHYTIN AL,M1PST0.74
BPHBACTERIOPHEOPHYTIN AL,M1KBY0.74
BPHBACTERIOPHEOPHYTIN AC,H,L,M1L9B0.74
BPHBACTERIOPHEOPHYTIN AL,M2RCR0.74
BPHBACTERIOPHEOPHYTIN AL,M1PCR0.74
BPHBACTERIOPHEOPHYTIN AL,M1M3X0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2HJ60.74
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DS80.74
BPHBACTERIOPHEOPHYTIN AH,L,M1FNQ0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UXJ0.74
BPHBACTERIOPHEOPHYTIN AL,M1QOV0.74
BPHBACTERIOPHEOPHYTIN AH,L,M3DU30.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UX40.74
BPHBACTERIOPHEOPHYTIN AL,M,R,S1AIJ0.74
BPHBACTERIOPHEOPHYTIN AL,M,N,O1AIG0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1RGN0.74
BPHBACTERIOPHEOPHYTIN AL,M1JGX0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UWV0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1RQK0.74
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV60.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UWW0.74
BPHBACTERIOPHEOPHYTIN AL,M,R,S1RZZ0.74
BPHBACTERIOPHEOPHYTIN AL,M,R,S1S000.74
BPHBACTERIOPHEOPHYTIN AH,L,M2HG30.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UX30.74
BPHBACTERIOPHEOPHYTIN AL,M1OGV0.74
BPHBACTERIOPHEOPHYTIN AH,L,M3DUQ0.74
BPHBACTERIOPHEOPHYTIN AA,B1Z9J0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2GNU0.74
BPHBACTERIOPHEOPHYTIN AC1E6D0.74
BPHBACTERIOPHEOPHYTIN AL,M1MPS0.74
BPHBACTERIOPHEOPHYTIN AL,M,X2UXM0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1RVJ0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UXL0.74
BPHBACTERIOPHEOPHYTIN AC,D,L,M,R,S1L9J0.74
BPHBACTERIOPHEOPHYTIN AL,M2JJ00.74
BPHBACTERIOPHEOPHYTIN AL,M1JH00.74
BPHBACTERIOPHEOPHYTIN AH,L,M2GMR0.74
BPHBACTERIOPHEOPHYTIN AH,L,M3DU20.74
BPHBACTERIOPHEOPHYTIN AL,M1PSS0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2HG90.74
BPHBACTERIOPHEOPHYTIN AH,L,M2HIT0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2JIY0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2UWU0.74
BPHBACTERIOPHEOPHYTIN AL,M1JGZ0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2J8C0.74
BPHBACTERIOPHEOPHYTIN AH,L,M,R,S,T1DV30.74
BPHBACTERIOPHEOPHYTIN AH,L,M3DSY0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1F6N0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1FNP0.74
BPHBACTERIOPHEOPHYTIN AH,L,M1K6L0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2HHK0.74
BPHBACTERIOPHEOPHYTIN AL,M1JGW0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2J8D0.74
BPHBACTERIOPHEOPHYTIN AL,M1YST0.74
BPHBACTERIOPHEOPHYTIN AH,L,M3DTR0.74
BPHBACTERIOPHEOPHYTIN AL,M1JGY0.74
BPHBACTERIOPHEOPHYTIN AH,L,M2HH10.74
3405-METHOXY-1,2-DIMETHYL-3-(PHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBO0.72
ONO2-[2-({[4-(DIAMINOMETHYL)PHENYL]AMINO}CARBONYL)-
6-METHOXYPYRIDIN-3-YL]-5-{[(1-FORMYL-
2,2-DIMETHYLPROPYL)AMINO]CARBONYL}BENZOIC ACID
A2AYW0.72
PQQPYRROLOQUINOLINE QUINONEA,B1CQ10.73
PQQPYRROLOQUINOLINE QUINONEA,B1OTW0.73
PQQPYRROLOQUINOLINE QUINONEA,B1C9U0.73
PQQPYRROLOQUINOLINE QUINONEA,C1W6S0.73
PQQPYRROLOQUINOLINE QUINONEA,B1FLG0.73
PQQPYRROLOQUINOLINE QUINONEA1KV90.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD60.73
PQQPYRROLOQUINOLINE QUINONEA,B1CRU0.73
PQQPYRROLOQUINOLINE QUINONEA,C1H4I0.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD70.73
PQQPYRROLOQUINOLINE QUINONEA,C2AD80.73
PQQPYRROLOQUINOLINE QUINONEA,D,I2D0V0.73
PQQPYRROLOQUINOLINE QUINONEA,C4AAH0.73
PQQPYRROLOQUINOLINE QUINONEA,C,E,G1H4J0.73
PQQPYRROLOQUINOLINE QUINONEA1KB00.73
PQQPYRROLOQUINOLINE QUINONEA1YIQ0.73
PQQPYRROLOQUINOLINE QUINONEA,C1LRW0.73
PQQPYRROLOQUINOLINE QUINONEA,C1G720.73
BPBBACTERIOPHEOPHYTIN BC,H,L,M3PRC0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M6PRC0.74
BPBBACTERIOPHEOPHYTIN BH,L,M1RY50.74
BPBBACTERIOPHEOPHYTIN BH,L,M1RZH0.74
BPBBACTERIOPHEOPHYTIN BL,M,R,S1RZZ0.74
BPBBACTERIOPHEOPHYTIN BL,M,R,S1S000.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M2JBL0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M1VRN0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M7PRC0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M2PRC0.74
BPBBACTERIOPHEOPHYTIN BH,L,M1UMX0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M1R2C0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M3D380.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M2I5N0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M5PRC0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M1PRC0.74
BPBBACTERIOPHEOPHYTIN BH,L,M1RVJ0.74
BPBBACTERIOPHEOPHYTIN BC,H,L,M,U1DXR0.74
OAI6-(OXALYL-AMINO)-1H-INDOLE-5-CARBOXYLIC ACIDA1C830.72
225FELODIPINEA2NNJ0.73
5DE1-(4-AMINOPHENYL)-3,5-DIMETHYL-
1H-PYRAZOLE-4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2E0.73
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
A,C,D2Q1L0.71
882(3R,5R)-7-[5-(ANILINOCARBONYL)-
3,4-BIS(4-FLUOROPHENYL)-1-ISOPROPYL-
1H-PYRROL-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
A,C,D3CD70.71
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A2HOB0.71
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B2AMQ0.71
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B,C,D3D230.71
3IHN-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-
L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-
4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-
3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
A,B2Q6F0.71
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGF0.7
IMM1-(4-IODOBENZOYL)-5-METHOXY-2-METHYL INDOLE-
3-ACETIC ACID
A,B1PGG0.7
VX32,3-diphenyl-1H-indole-7-carboxylic acidA3BGZ0.72
A465-chloro-N-{4-[(1R)-1,2-dihydroxyethyl]phenyl}-
1H-indole-2-carboxamide
A,B2ZB20.73
1177-[2-(4-FLUORO-PHENYL)-5-ISOPROPYL-
3-PHENYL-4-PHENYLCARBAMOYL-PYRROL-
1-YL]- 3,5-DIHYDROXY-HEPTANOIC ACID
A,B,C,D1HWK0.7
ICO1H-INDOLE-3-CARBOXYLIC ACIDL2PIP0.72
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,B3G0F0.74
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
A3G0E0.74
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
A1Z8N0.76
SU13-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-
2-YL)METHYLENE]-2-INDOLINONE
A,B1FGI0.73
IDA(2-CARBAMOYLMETHYL-5-PROPYL-OCTAHYDRO-
INDOL-7-YL)ACETIC ACID
A,B1OXL0.72
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,D3CD50.71
T19PHENYLMETHYLENECARBOXY-(METHYLENEAMINO-
FORMYL-DIPHENYLMETHYL)METHY-PRO-
BOROVAL
H,I1AIX0.74
2S8(2S)-8-[(tert-butoxycarbonyl)amino]-
2-(1H-indol-3-yl)octanoic acid
B3C6N0.7
3DE3,5-DIMETHYL-1-PHENYL-1H-PYRAZOLE-
4-CARBOXYLIC ACID ETHYL ESTER
A,B1Y2C0.73
J605-[(E)-(5-CHLORO-2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]-N-[2-
(DIETHYLAMINO)ETHYL]-2,4-DIMETHYL-
1H-PYRROLE-3-CARBOXAMIDE
A,B2JAM0.71
IIDN-(1-ISOPROPYLPIPERIDIN-4-YL)-1-
(3-METHOXYBENZYL)-1H-INDOLE-2-CARBOXAMIDE
A,B2BQ70.72
5Z55-[(Z)-(5-CHLORO-2-OXO-1,2-DIHYDRO-
3H-INDOL-3-YLIDENE)METHYL]-N-(DIETHYLAMINO)ETHYL]-
2,4-DIMETHYL-1H-PYRROLE-3-CARBOXAMIDE
A2JAV0.71
PHOPHEOPHYTIN AA,B,C,D,F,H,
K,L,T,V,Z
3A0H0.74
PHOPHEOPHYTIN AZ1W5C0.74
PHOPHEOPHYTIN AA,B,C,D,F,H,
I,K,L,M,T,V,X
2AXT0.74
PHOPHEOPHYTIN AA,B,C,D,E,H,
J,K,L,T,V,Z
3A0B0.74
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,M,O,
T,V,Z
3BZ10.74
PHOPHEOPHYTIN A0,A,B,C,D,E,
G,J,K,L,M,N,
P,R,V,W
1IZL0.74
PHOPHEOPHYTIN AA,B,C,D,E,F,
J,K,V
1S5L0.74
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1ILX0.74
PHOPHEOPHYTIN AA,B,C,D,F,G,
H,I,J,K,L,M,
O,P,Q,R
1FE10.74
PHOPHEOPHYTIN AA,B,C,D,E,F,
H,I,J,K,L,M,
O,T,V,X,Z
3BZ20.74
MOCCARBAMIC ACID 2,6-DIAMINO-5-METHYL-
4,7-DIOXO-2,3,4,7-TETRAHYDRO-1H-
3A-AZA-CYCLOPENTA[A]INDEN-8-YLMETHYL ESTER
A199D0.72
C80(2S,4S,5R,7R)-4-AMINO-8-(BUTYLAMINO)-
5-HYDROXY-2,7-DIMETHYL-8-OXOOCTYL 1-
BENZYL-1H-INDOLE-3-CARBOXYLATE
C,O2V110.73
CMF3-CYCLOHEXYL-1-(2-MORPHOLIN-4-YL-
2-OXOETHYL)-2-PHENYL-1H-INDOLE-
6-CARBOXYLIC ACID
A2BRK0.7
ARH3-(HYDROXYMETHYL)-1-METHYL-5-(2-
METHYLAZIRIDIN-1-YL)-2-PHENYL-1H-
INDOLE-4,7-DIONE
A,B,C,D1H690.72
CBB1-(3-CARBAMIMIDOYL-BENZYL)-1H-INDOLE-
2-CARBOXYLIC ACID 3-CARBAMIMIDOYL-
BENZYLESTER
B1LPK0.74
9365-METHOXY-1,2-DIMETHYL-3-(4-NITROPHENOXYMETHYL)INDOLE-
4,7-DIONE
A,B,C,D1KBQ0.7