MMsInc Molecule/ Ligand PDB

Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs03371764

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
AU4	4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE)	A	2PYZ	0.74
9AP	9-AMINOPHENANTHRENE	A	1EGY	0.72
MBN	TOLUENE	A,B	3D7O	0.7
MBN	TOLUENE	A,B	1R1X	0.7
MBN	TOLUENE	A,B	1JLX	0.7
MBN	TOLUENE	A,B,C,D	3D17	0.7
MBN	TOLUENE	A,B	2VRL	0.7
MBN	TOLUENE	A,I	2Z3E	0.7
MBN	TOLUENE	A,B	1YZI	0.7
MBN	TOLUENE	A,B	2DN1	0.7
MBN	TOLUENE	A,B	3EN1	0.7
XYD	2,5-DIMETHYLANILINE	A,B,C,D	1KYA	0.73
XYD	2,5-DIMETHYLANILINE	A	1L4L	0.73
HPQ	HOMOPHENYLALANINYLMETHANE	B	1EWP	0.73
FPR	PROPYLBENZENE	C	1RHK	0.73
NPY	NAPHTHALENE	A,B	1O7G	0.74
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C73	0.77
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	1S2Y	0.77
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C75	0.77
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C76	0.77
RSA	N-PROPARGYL-1(S)-AMINOINDAN	A,B	2C72	0.77
150	4,5-DIMETHYL-1,2-PHENYLENEDIAMINE	A	1L4F	0.73
TPA	TRANS-2-PHENYLCYCLOPROPYLAMINE	A	1TNL	0.83
BDB		A,B	1KE3	0.74
CGQ	3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)- HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]- IMINOMETHYL]-BENZAMIDINIUM	A,B,D,E	2G0E	0.7
CGQ	3-[C-[N'-(3-CARBAMIMIDOYL-BENZYLIDENIUM)- HYDRAZINO]-[[AMINOMETHYLIDENE]AMINIUM]- IMINOMETHYL]-BENZAMIDINIUM	A,B	1M6F	0.7
263	1-(azidomethyl)-3-methylbenzene	X	2RB2	0.84
PMI	(2-AMINO-2,3-DIHYDRO-1H-INDEN-2- YL)PHOSPHONIC ACID	A,B,C,D,E,F, G,H	2O7E	0.71
SRD	D-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	4VGC	0.73
PEA	2-PHENYLETHYLAMINE	A,B,E,F,G,H	1MHW	0.85
PEA	2-PHENYLETHYLAMINE	A	1TNJ	0.85
PEA	2-PHENYLETHYLAMINE	D,H	2HKM	0.85
PEA	2-PHENYLETHYLAMINE	A	1UTO	0.85
PEA	2-PHENYLETHYLAMINE	A,B	1D6Y	0.85
PEA	2-PHENYLETHYLAMINE	A,B	1D6Z	0.85
PEA	2-PHENYLETHYLAMINE	A,B	1D6U	0.85
PEA	2-PHENYLETHYLAMINE	A	1UTM	0.85
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A	1QWC	0.74
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1FOI	0.74
14W	N-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE	A,B	1QW5	0.74
ANC	ANTHRACEN-1-YLAMINE	A,B	1GT1	0.73
ANC	ANTHRACEN-1-YLAMINE	A,B	1HN2	0.73
ABN	BENZYLAMINE	D,H	2HXC	0.88
ABN	BENZYLAMINE	A,I	1A86	0.88
ABN	BENZYLAMINE	A	1UTN	0.88
ABN	BENZYLAMINE	A	1N6X	0.88
ABN	BENZYLAMINE	A	2BZA	0.88
ABN	BENZYLAMINE	A	2EUS	0.88
ABN	BENZYLAMINE	A	1N6Y	0.88
ABN	BENZYLAMINE	A	1UTJ	0.88
FRD	1-PHENYL-2-AMINOPROPANE	A,C	2AOI	0.84
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOF	0.84
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOJ	0.84
FRD	1-PHENYL-2-AMINOPROPANE	A,B,C	2AOH	0.84
AN3	ANTHRACENE	A,B	2HMN	0.71
AN3	ANTHRACENE	A,B	2HMM	0.71
1PC	1-(PHENYL-1-CYCLOHEXYL)PIPERIDINE	B,C	2PCP	0.78
EOA	N-PHENETHYL-FORMAMIDE	H,I	1A5G	0.74
34A	3,4-DIMETHYLANILINE	A	1L4K	0.77
COR	2,4-DIAMINO-1,5-DIPHENYL-3-HYDROXYPENTANE	A	9HVP	0.7
FLM	3-FLUORO-2-METHYL-ANILINE	A	1OVJ	0.71
ISO	PARA-ISOPROPYLANILINE	A	1BMA	0.77
ISO	PARA-ISOPROPYLANILINE	A,B	1ELC	0.77
ISO	PARA-ISOPROPYLANILINE	A,B	1ELB	0.77
ISO	PARA-ISOPROPYLANILINE	A,B	1ELA	0.77
BNF	N-BENZYLFORMAMIDE	A,B	1U3U	0.77
ZYX	4-(2-AMINOETHYL)BENZENESULFONAMIDE	A	2NNG	0.7
RMA	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1- YL]-N-METHYL-N-PROP-2-YNYLAMINE	A,B	1S3B	0.75
SRB	L-1-NAPHTHYL-2-ACETAMIDO-ETHANE BORONIC ACID	B,C	3VGC	0.73
I4B	ISOBUTYLBENZENE	A	184L	0.73
BEN	BENZAMIDINE	A	2TIO	0.74
BEN	BENZAMIDINE	A	1J15	0.74
BEN	BENZAMIDINE	A,B	3BEU	0.74
BEN	BENZAMIDINE	T	1V2U	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3CF8	0.74
BEN	BENZAMIDINE	A	1S0R	0.74
BEN	BENZAMIDINE	A,B	1V16	0.74
BEN	BENZAMIDINE	A	1CC7	0.74
BEN	BENZAMIDINE	A	3BG8	0.74
BEN	BENZAMIDINE	A	1CC8	0.74
BEN	BENZAMIDINE	A	3PTB	0.74
BEN	BENZAMIDINE	A,B	1TRM	0.74
BEN	BENZAMIDINE	A	1ZHR	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	1NKZ	0.74
BEN	BENZAMIDINE	A	2BLV	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLP	0.74
BEN	BENZAMIDINE	H,I	3D49	0.74
BEN	BENZAMIDINE	H,L,T	2AER	0.74
BEN	BENZAMIDINE	A	1J14	0.74
BEN	BENZAMIDINE	A	1NSA	0.74
BEN	BENZAMIDINE	A	2AYW	0.74
BEN	BENZAMIDINE	A	1BRA	0.74
BEN	BENZAMIDINE	A,B,C,D	1A0J	0.74
BEN	BENZAMIDINE	B,C,D	2AST	0.74
BEN	BENZAMIDINE	A,B	2CKR	0.74
BEN	BENZAMIDINE	A	1LPU	0.74
BEN	BENZAMIDINE	A	1ZHM	0.74
BEN	BENZAMIDINE	A	1J8A	0.74
BEN	BENZAMIDINE	A,B	3BCX	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3CF9	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3D04	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLL	0.74
BEN	BENZAMIDINE	A	1AND	0.74
BEN	BENZAMIDINE	A	2TBS	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP2	0.74
BEN	BENZAMIDINE	T	1V2M	0.74
BEN	BENZAMIDINE	A	2EEK	0.74
BEN	BENZAMIDINE	H,I	2ZI2	0.74
BEN	BENZAMIDINE	T	1V2J	0.74
BEN	BENZAMIDINE	H	1KLI	0.74
BEN	BENZAMIDINE	A	1CE5	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3B7J	0.74
BEN	BENZAMIDINE	B,Y	2PKA	0.74
BEN	BENZAMIDINE	A	2VJ0	0.74
BEN	BENZAMIDINE	A	3B3J	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DOY	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP3	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	2GLM	0.74
BEN	BENZAMIDINE	A	1ANB	0.74
BEN	BENZAMIDINE	A	1LO6	0.74
BEN	BENZAMIDINE	A	1LR4	0.74
BEN	BENZAMIDINE	A,B	1V1M	0.74
BEN	BENZAMIDINE	A	1ZHP	0.74
BEN	BENZAMIDINE	A	2J9N	0.74
BEN	BENZAMIDINE	A	2BMV	0.74
BEN	BENZAMIDINE	A,B	2CKS	0.74
BEN	BENZAMIDINE	A	2BLW	0.74
BEN	BENZAMIDINE	A	1J16	0.74
BEN	BENZAMIDINE	A,B	1V11	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP0	0.74
BEN	BENZAMIDINE	B	1RTF	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DP1	0.74
BEN	BENZAMIDINE	A,B,C,D	2E58	0.74
BEN	BENZAMIDINE	A	2TRM	0.74
BEN	BENZAMIDINE	T	1V2V	0.74
BEN	BENZAMIDINE	A	1MBQ	0.74
BEN	BENZAMIDINE	A,B,C,D,E,F	3DOZ	0.74
BEN	BENZAMIDINE	A	2O8U	0.74
BEN	BENZAMIDINE	H	1DWB	0.74
BEN	BENZAMIDINE	B,C	2ASS	0.74
BEN	BENZAMIDINE	A	1ANE	0.74
BEN	BENZAMIDINE	H,I	2ZIQ	0.74
BEN	BENZAMIDINE	A	1BIT	0.74
BEN	BENZAMIDINE	A	2AIQ	0.74
BEN	BENZAMIDINE	A	2OQ5	0.74
BEN	BENZAMIDINE	A	1ANC	0.74
BEN	BENZAMIDINE	H	1JBU	0.74
BEN	BENZAMIDINE	A,B	2BPQ	0.74
BEN	BENZAMIDINE	A,B,C,D	2GNN	0.74
BEN	BENZAMIDINE	T	1V2S	0.74
BEN	BENZAMIDINE	A	1H4W	0.74
BEN	BENZAMIDINE	A	1OSS	0.74
BEN	BENZAMIDINE	A	1W80	0.74
BEN	BENZAMIDINE	A	1BTY	0.74
BEN	BENZAMIDINE	H,I	2ZFQ	0.74
BEN	BENZAMIDINE	A	1EAX	0.74
BEN	BENZAMIDINE	A	1L2E	0.74
BEN	BENZAMIDINE	A	1WRI	0.74
BEN	BENZAMIDINE	A,B	3BB8	0.74
BEN	BENZAMIDINE	A	2OXS	0.74
BEN	BENZAMIDINE	A	1DPO	0.74
BEN	BENZAMIDINE	T	1V2L	0.74
FBA	4-FLUOROBENZYLAMINE	B,D,E	1AFQ	0.84
FBA	4-FLUOROBENZYLAMINE	A	1TNH	0.84
DBP	1,3-DIAMINOBENZYL PHENYLALANINE	A	1A85	0.75
PEY	PHENANTHRENE	A,B	2HML	0.71
PEY	PHENANTHRENE	A,B	2HMK	0.71
SRE	(1S,4S)-4-(3,4-dichlorophenyl)- N-methyl-1,2,3,4-tetrahydronaphthalen- 1-amine	A	3GWU	0.71
B2Y	1-biphenyl-2-ylmethanamine	A,B,C,D	3CCB	0.99
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3B2Q	0.72
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4T	0.72
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	O,P,Q,R	2B4R	0.72
AES	4-(2-AMINOETHYL)BENZENESULFONYL FLUORIDE	A,B	3EIU	0.72
PHL	L-PHENYLALANINOL	A,B	1JOH	0.7
PHL	L-PHENYLALANINOL	I	3APR	0.7
PHL	L-PHENYLALANINOL	A	1DLZ	0.7
PHL	L-PHENYLALANINOL	A	1IH9	0.7
PHL	L-PHENYLALANINOL	A	1OB4	0.7
PHL	L-PHENYLALANINOL	I	2ER6	0.7
PHL	L-PHENYLALANINOL	A	1R9U	0.7
PHL	L-PHENYLALANINOL	A	1OB7	0.7
PHL	L-PHENYLALANINOL	A,B	1OB6	0.7
PHL	L-PHENYLALANINOL	A,B,C	1AMT	0.7
PRY	2-PROPYL-ANILINE	A	1OWY	0.76
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2OUA	0.7
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B,C,D	2AJC	0.7
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	3PRO	0.7
2AB	4-(2-AMINOETHYL)BENZENESULFONIC ACID	A,B	2PFE	0.7
PXY	PARA-XYLENE	A	187L	0.71
PXY	PARA-XYLENE	A	225L	0.71
PYL	PHENYLETHANE	C	1B07	0.73
PYL	PHENYLETHANE	A,B	2VRM	0.73
PYL	PHENYLETHANE	A	1NHB	0.73
TRJ	META-DI(AMINOMETHYL)BENZENE	A,I	1GVV	0.88
TRJ	META-DI(AMINOMETHYL)BENZENE	A	1FQ5	0.88
BZZ	BENZYLHYDRAZINE	A,B	2E2V	0.8
PDH	(2S)-2-AMINO-3-PHENYL-1-PROPANOL	A	1GQ0	0.7
L18	(2S)-1-methyl-2-[(2S,4R)-2-methyl- 4-phenylpentyl]piperidine	A	2JJG	0.74
PHM	PHENYLALANYLMETHANE	A,I	1PJP	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2J9J	0.73
PHM	PHENYLALANYLMETHANE	A,B,C	2JE4	0.73
NFA	PHENYLALANINE AMIDE	A,B,C,D	2BTJ	0.7
NFA	PHENYLALANINE AMIDE	A,B,C,D,E,F	2EFX	0.7
NFA	PHENYLALANINE AMIDE	A,B,C,D	2VVJ	0.7
NFA	PHENYLALANINE AMIDE	A	2A4O	0.7
NFA	PHENYLALANINE AMIDE	A,B	1XAE	0.7
NFA	PHENYLALANINE AMIDE	A,B,C,D	2OGR	0.7
NFA	PHENYLALANINE AMIDE	A,B,C,D	1QA7	0.7
NFA	PHENYLALANINE AMIDE	A,B,C,D	2GW4	0.7
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIM	0.74
PHC	N-METHYL-N-(METHYLBENZYL)FORMAMIDE	A,B	1BIL	0.74
RM1	N-METHYL-1(R)-AMINOINDAN	A,B	2C67	0.81
GVQ	(2R)-2-(4-CHLOROPHENYL)-2-PHENYLETHANAMINE	A	2UW8	0.8
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	A	1OS0	0.75
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	E,I	4TMN	0.75
PPH	[(1R)-1-amino-2-phenylethyl]phosphonic acid	S	1CGH	0.75
C2A	1-(3-CHLOROPHENYL)METHANAMINE	B,I	2C8Z	0.77
271	N-methyl-1-phenylmethanamine	X	2RBT	0.85
1PB	1,4-DIPHENYL-2-BUTENE	A,B	1OJ9	0.74
PO0	1-BENZYL-(R)-PROPYLAMINE	A,I	1LZQ	0.84
PO0	1-BENZYL-(R)-PROPYLAMINE	B,I	1M0B	0.84
N4B	N-BUTYLBENZENE	A	186L	0.73
BTM	N-benzyl-N,N-diethylethanaminium	A,B	2Q9Y	0.79
BAC	N-(4-IODO-BENZYL)-FORMAMIDE	A,B,C,D	2WPO	0.74
2BF	ALPHA-BENZYL-AMINOBENZYL-PHOSPHONIC ACID	A,B,C,D	1ND5	0.76
NFP	3-AMINO-5-PHENYLPENTANE	A	1MEM	0.83
NFP	3-AMINO-5-PHENYLPENTANE	A,D,E	1FH0	0.83
OXE	ORTHO-XYLENE	A,B	3E0X	0.76
OXE	ORTHO-XYLENE	A	188L	0.76
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBM	0.82
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBD	0.82
B2F	PHENYLALANINE BORONIC ACID	A,P	1P06	0.82
B2F	PHENYLALANINE BORONIC ACID	A,P	1GBI	0.82
B2F	PHENYLALANINE BORONIC ACID	A,P	8LPR	0.82
IDI	7-IODO-1,2,3,4-TETRAHYDRO-ISOQUINOLINE	A,B	1N7J	0.79
C2B	1-(4-CHLOROPHENYL)METHANAMINE	D,H	2Q7Q	0.77
PHA	PHENYLALANINAL	A,B	1OB2	0.7
PHA	PHENYLALANINAL	V,Y,Z	2WDG	0.7
PHA	PHENYLALANINAL	V,Y,Z	2WDK	0.7
PHA	PHENYLALANINAL	1,2,4,5,A,B, C,D,E,J,K,L, M,N,O,P,R,S, T,U,V,Z	1M90	0.7
PHA	PHENYLALANINAL	P	3SGA	0.7
PHA	PHENYLALANINAL	A,B,C,D,E,F	1OB5	0.7
PHA	PHENYLALANINAL	V,Y,Z	2WDM	0.7
PHA	PHENYLALANINAL	0,2,4,9,A,B, C,H,I,J,K,L, M,N,P,Q,R,S, T,X,Y,Z	1KQS	0.7
PHA	PHENYLALANINAL	A,B	1KDV	0.7
PHA	PHENYLALANINAL	1,2,4,5,6,A, B,C,D,E,J,K, L,M,N,O,P,R, S,T,U,V,Z	1Q86	0.7
PHA	PHENYLALANINAL	A,B	1KDY	0.7
PHA	PHENYLALANINAL	V,Y,Z	3FIC	0.7
PHA	PHENYLALANINAL	V,Y,Z	2WDH	0.7
PHA	PHENYLALANINAL	A,B	1KE2	0.7
BHY	N,N'-[biphenyl-4,4'-diyldi(2R)propane- 2,1-diyl]dimethanesulfonamide	A,B	3BBR	0.77
DEN	INDENE	A	183L	0.71
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	2BK4	0.77
RAS	N-PROPARGYL-1(R)-AMINONDAN	A,B	1S2Q	0.77
BAM	BENZAMIDINE	U	1F5K	0.74
BAM	BENZAMIDINE	X	2BY8	0.74
BAM	BENZAMIDINE	B	2PSM	0.74
BAM	BENZAMIDINE	X	2BY9	0.74
BAM	BENZAMIDINE	A	1C1N	0.74
BAM	BENZAMIDINE	X	2BY6	0.74
BAM	BENZAMIDINE	H,I	1C5O	0.74
BAM	BENZAMIDINE	A	1XX4	0.74
BAM	BENZAMIDINE	A	1HJ8	0.74
BAM	BENZAMIDINE	A	1C5P	0.74
BAM	BENZAMIDINE	B	1C5Z	0.74
BAM	BENZAMIDINE	A,B	1ZVW	0.74
BAM	BENZAMIDINE	A	2ANW	0.74
BAM	BENZAMIDINE	A	2ANY	0.74
BAM	BENZAMIDINE	X	2BYA	0.74
BAM	BENZAMIDINE	A	1TIO	0.74
BAM	BENZAMIDINE	X	2BY5	0.74
BAM	BENZAMIDINE	X	2BY7	0.74
MFG	(1Z)-4-(4-FLUOROPHENYL)-2-METHYLIDENEBUTAN- 1-IMINE	A,B	2VZ2	0.71
007	1-METHYLAMINE-1-BENZYL-CYCLOPENTANE	A,B,C,D	2BUA	0.84
DPK	DEPRENYL	A,B	2BYB	0.77
NAM	NAM NAPTHYLAMINOALANINE	A,B,I,J	3FIV	0.73
NAM	NAM NAPTHYLAMINOALANINE	A,B,I,J	2FIV	0.73
4FP	4-(4-FLUOROBENZYL)PIPERIDINE	A	2OHN	0.75
PBN	4-PHENYLBUTYLAMINE	A	1TNI	0.84
PBN	4-PHENYLBUTYLAMINE	A	1UTP	0.84
PRA	3-PHENYLPROPYLAMINE	A	1TNK	0.84
PRA	3-PHENYLPROPYLAMINE	M	1UTL	0.84
267	1-(azidomethyl)-3-methylbenzene	A	2RBQ	0.84
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	E,F,G,H	1NJU	0.76
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	Y,Z	1JQ7	0.76
BAS	N-(1-PHENYL-PROPYL)-FORMAMIDE	C	1NKM	0.76
745	TRANS-6-(2-PHENYLCYCLOPROPYL)-NAPHTHALENE- 2-CARBOXAMIDINE	A	1U6Q	0.71