MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02434419

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

Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
Ligand	Ligand name	Chain	PDB	Tanimoto	Ligand in PDB
ANQ	ACENAPHTHENEQUINONE	H,J	1OAX	0.71
OXE	ORTHO-XYLENE	A,B	3E0X	0.75
OXE	ORTHO-XYLENE	A	188L	0.75
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A,B	2P0M	0.72
RS7	(2E)-3-(2-OCT-1-YN-1-YLPHENYL)ACRYLIC ACID	A	1LOX	0.72
BP4	BIPHENYL-4-YL-ACETALDEHYDE	A,B,E,F,G,H	1MHW	0.76
3PL	3-PHENYLPROPANAL	E	1Y3G	0.81
PQN	PHYLLOQUINONE	A,B,C,F,I,J, K,L,M,X	1JB0	0.79
PQN	PHYLLOQUINONE	1,2,3,4,A,B, C,F,G,H,I,J, K,L	2O01	0.79
PQN	PHYLLOQUINONE	A,B,C,F,K,L	2PPS	0.79
PQN	PHYLLOQUINONE	A,B,C,F,K,L	1C51	0.79
PQN	PHYLLOQUINONE	0,1,2,3,4,5, 6,7,8,9,A,B, C,F,G,H,J,K, L,P,Q,R,U,V, W,Z	1QZV	0.79
HCI	HYDROCINNAMIC ACID	A,B	1BXG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1TOG	0.73
HCI	HYDROCINNAMIC ACID	A,B	1V2F	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AHX	0.73
HCI	HYDROCINNAMIC ACID	A	1TOI	0.73
HCI	HYDROCINNAMIC ACID	A,B	1AY8	0.73
HCI	HYDROCINNAMIC ACID	A	1TOJ	0.73
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.74
5PV	5-PHENYLVALERIC ACID	A,B	2AY9	0.72
HZH	1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan- 2-one	A,B	3DEA	0.71
KPV	5-PHENYL-2-KETO-VALERIC ACID	A,B	2Q5Q	0.73
HBX	benzaldehyde	A,B	3GDN	0.8
DPH	DEAMINO-METHYL-PHENYLALANINE	A	1OS0	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJI	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2JJJ	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	2VS2	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	A,B	1OD1	0.73
DPH	DEAMINO-METHYL-PHENYLALANINE	E	1EPR	0.73
PPT	3-(P-TOLYL)PROPIONIC ACID	A,B	2AY4	0.75
2IB	2-IODOBENZYL GROUP	I,J,K,L,M,N, O,P	1GUL	0.72
PAC	2-PHENYLACETIC ACID	B	1PNL	0.71
PAC	2-PHENYLACETIC ACID	B	1K5Q	0.71
PAC	2-PHENYLACETIC ACID	B	1FXH	0.71
PAC	2-PHENYLACETIC ACID	A	2ISF	0.71
PAC	2-PHENYLACETIC ACID	A	2INE	0.71
PPY	3-PHENYLPYRUVIC ACID	A,B	2Q5O	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1LCO	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B,C,D,E,F	2ZF4	0.73
PPY	3-PHENYLPYRUVIC ACID	A,B	1BW9	0.73
GW5	(2E)-3-{4-[(1E)-1,2-DIPHENYLBUT- 1-ENYL]PHENYL}ACRYLIC ACID	A,B,C	1R5K	0.71
CLT	4-PHENYL-BUTANOIC ACID	A	1THL	0.72
CLT	4-PHENYL-BUTANOIC ACID	A,B	2AY7	0.72
CLT	4-PHENYL-BUTANOIC ACID	E,I	1TMN	0.72
4MA	4-METHYLBENZOIC ACID	A,H	2HRG	0.71
ELI	6-(3-METHYL-1,4-DIOXO-1,4-DIHYDRONAPHTHALEN- 2-YL)HEXANOIC ACID	A,B	2GH5	0.71
HPK	(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE	A	2PUH	0.79
VK3	MENADIONE	A	1TUV	0.81
VK3	MENADIONE	A,B	2QR2	0.81
CVB	4-(CARBOXYVIN-2-YL)PHENYLBORONIC ACID	A,B	1KE0	0.75
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE6	0.76
TCA	PHENYLETHYLENECARBOXYLIC ACID	A	1BE8	0.76
TCA	PHENYLETHYLENECARBOXYLIC ACID	A,B,C,D,E,F, G,H	2O78	0.76
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	2OK9	0.78
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A,B	1Z76	0.78
PBP	1-(4-BROMO-PHENYL)-ETHANONE	A	1BK9	0.78
FPR	PROPYLBENZENE	C	1RHK	0.77
C1E	(2Z,4E)-3-chloro-2-hydroxy-6-oxo- 6-phenylhexa-2,4-dienoic acid	A	2RHT	0.71
IBP	IBUPROFEN	A	3FKX	0.72
IBP	IBUPROFEN	A,B	2BXG	0.72
IBP	IBUPROFEN	A,B	1EQG	0.72
IBP	IBUPROFEN	A,B,C	2WD9	0.72
IBP	IBUPROFEN	A	2PWS	0.72
I4B	ISOBUTYLBENZENE	A	184L	0.75
173	BENZOYL-FORMIC ACID	A,B	1SZE	0.72
HPX	(2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A,B,C,D	2DSA	0.73
HY1	PHENYLACETALDEHYDE	D,H	2I0S	0.8
HY1	PHENYLACETALDEHYDE	A,B	1D6Y	0.8
HY1	PHENYLACETALDEHYDE	A,B	1D6Z	0.8
HY1	PHENYLACETALDEHYDE	D,H	2OK4	0.8
HY1	PHENYLACETALDEHYDE	A,B	1D6U	0.8
DMW	2,3-DIMETHYL-1,4-NAPHTHOQUINONE	A,B,C,D,E,F	2BS4	0.81
MBN	TOLUENE	A,B	3D7O	0.76
MBN	TOLUENE	A,B	1R1X	0.76
MBN	TOLUENE	A,B	1JLX	0.76
MBN	TOLUENE	A,B,C,D	3D17	0.76
MBN	TOLUENE	A,B	2VRL	0.76
MBN	TOLUENE	A,I	2Z3E	0.76
MBN	TOLUENE	A,B	1YZI	0.76
MBN	TOLUENE	A,B	2DN1	0.76
MBN	TOLUENE	A,B	3EN1	0.76
HPZ	(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA- 2,4-DIENOIC ACID	A	2PUJ	0.73
BZQ	DIPHENYLMETHANONE	A,B	1GT5	0.84
BZQ	DIPHENYLMETHANONE	A,B	1DZP	0.84
1LP	TRANYLCYPROMINE	A,B	1OJB	0.78
MQ7	MENAQUINONE-7	C,H,L,M	1PRC	0.79
MQ7	MENAQUINONE-7	A,B,D,M,N,P	2B76	0.79
MQ7	MENAQUINONE-7	C,H,L,M	5PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	7PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	2PRC	0.79
MQ7	MENAQUINONE-7	C,H,L,M	1R2C	0.79
MQ7	MENAQUINONE-7	A,B,C,E,F,G	2VPW	0.79
MQ7	MENAQUINONE-7	C,H,L,M	3PRC	0.79
MQ7	MENAQUINONE-7	A,B,D,M,N,O,P	1L0V	0.79
MQ7	MENAQUINONE-7	C,H,L,M	2JBL	0.79
MQ7	MENAQUINONE-7	C,H,L,M	6PRC	0.79
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.73
9TA	1,4-BIS-[2-(2-HYDROXY-ETHYLAMINO)- ETHYLAMINO]-ANTHRAQUINONE	A,B	1FDG	0.76
PXY	PARA-XYLENE	A	187L	0.79
PXY	PARA-XYLENE	A	225L	0.79
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.74
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.74
MQ9	MENAQUINONE-9	C,H,L,M	3D38	0.79
MQ9	MENAQUINONE-9	C,H,L,M	1VRN	0.79
MQ9	MENAQUINONE-9	C,H,L,M	2I5N	0.79
MQ9	MENAQUINONE-9	C,H,L,M,U	1DXR	0.79
MQ8	MENAQUINONE 8	C,H,L,M	1EYS	0.79
AC0	1-PHENYLETHANONE	A	1ZK1	0.9
AC0	1-PHENYLETHANONE	A	1ZK4	0.9
N4B	N-BUTYLBENZENE	A	186L	0.77
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1DPM	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6B	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1PSC	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	3E3H	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1QW7	0.71
EBP	DIETHYL 4-METHYLBENZYLPHOSPHONATE	A,B	1P6C	0.71
PYL	PHENYLETHANE	C	1B07	0.77
PYL	PHENYLETHANE	A,B	2VRM	0.77
PYL	PHENYLETHANE	A	1NHB	0.77
LEG	1-(4-HEXYLPHENYL)PROP-2-EN-1-ONE	A,B	2PIN	0.92
PBA	PHENYLETHANE BORONIC ACID	C,G	6CHA	0.75